o2 Ag/Cu foam catalyst for selective reduction of CO2 to CH3OH at low potential By pubs.rsc.org Published On :: Catal. Sci. Technol., 2024, Accepted ManuscriptDOI: 10.1039/D4CY01056F, PaperRuitao Nie, Xiaolong Deng, Haoyu Yang, Hongwei Chen, Jie Yang, Meiyi Lu, Keqi Peng, Xiaoyu Zhou, Yang Chen, Juan Xie, Hu WangElectrocatalytic selective reduction of CO2 to liquid phase products, particularly methanol, is a promising technique for CO2 utilization. However, the challenge is daunting because the reduction of carbon dioxide to...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Innovations in nanocomposite photocatalysts for CO2 to CH3OH conversion By pubs.rsc.org Published On :: Catal. Sci. Technol., 2024, 14,6443-6465DOI: 10.1039/D4CY00822G, Review Article Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Shuang Deng, Nannan Wang, Yanqiu Zhu, Kunyapat ThummavichaiNowadays, the excessive use of fossil fuels has led to a global energy shortage and exacerbated the greenhouse effect.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Oxygen vacancy-dependent low-temperature performance of Ni/CeO2 in CO2 methanation By pubs.rsc.org Published On :: Catal. Sci. Technol., 2024, 14,6537-6549DOI: 10.1039/D4CY00679H, PaperLuliang Liao, Kunlei Wang, Guangfu Liao, Muhammad Asif Nawaz, Kun LiuThe transformative power of CO2 methanation can efficiently transform greenhouse gases into high-value products, aligning with the carbon neutrality goals.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Heteroatom-assisted oxygen vacancies in cerium oxide catalysts for efficient synthesis of dimethyl carbonate from CO2 and methanol By pubs.rsc.org Published On :: Catal. Sci. Technol., 2024, 14,6513-6523DOI: 10.1039/D4CY00702F, PaperNiladri Maity, Samiyah A. Al-Jendan, Samir Barman, Nagendra Kulal, E. A. JaseerHeteroatom (N, S) assisted CeO2 nanorod materials exhibited enhanced catalytic efficiency in the synthesis of dimethyl carbonate from CO2 and methanol, attributed to their superior surface acidity, basicity, Ce3+ concentration, and oxygen vacancies.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Highly effective solar CO2 fixation via photocatalytic carboxylation of aromatic amines with carbon dioxide over a covalent organic framework (COF) as a photocatalyst By pubs.rsc.org Published On :: Catal. Sci. Technol., 2024, 14,6670-6677DOI: 10.1039/D4CY00949E, PaperChandani Singh, Jae Young Kim, No-Joong Park, Rajesh Kumar Yadav, Jin-Ook BaegFacile synthesis of the Tp-DAMS COF as a photocatalyst for efficient solar carboxylation of aromatic amines with CO2. The CO2 conversion efficiency into carboxylic acid is 99.9% without the necessity of using stoichiometric metallic reductants.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Photocatalytic H2O2 production with perylene(bis-imide)-doped periodic mesoporous silica using micropollutants as sacrificial donors By pubs.rsc.org Published On :: Catal. Sci. Technol., 2024, 14,6710-6719DOI: 10.1039/D4CY00739E, PaperCharlotte David, Stephane Grolleau, Denys Grekov, Aydar Rakhmatullin, Errol Blart, Valerie Hequet, Yann PellegrinA perylene-doped mesoporous silica material is used as a photocatalyst to produce H2O2 from aerated polluted water samples under light soaking.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Dual defect sites at g-C3N4 synergistically induce the electron localization effect for boosting photocatalytic H2O2 production By pubs.rsc.org Published On :: Catal. Sci. Technol., 2024, 14,6701-6709DOI: 10.1039/D4CY01101E, PaperJingjing Jiang, Yuyao Chen, Shijian Zhou, Haoran Xie, Changlai Li, Zheng Wei, Yan KongDefect engineering (such as doping of non-metallic elements or vacancies) is a universally effective modification to improve the electronic structure and physical properties of g-C3N4, which has been widely applied in various photocatalytic systems.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Study on the effect and mechanism of Ag and Bi2MoO6 modification on the CO2 photo-thermal reduction performance of g-C3N4 catalysts with localized surface plasmon resonance By pubs.rsc.org Published On :: Catal. Sci. Technol., 2024, 14,6621-6640DOI: 10.1039/D4CY00930D, PaperBin Guan, Junyan Chen, Zhongqi Zhuang, Zhan Gao, Zeren Ma, Xuehan Hu, Chenyu Zhu, Sikai Zhao, Kaiyou Shu, Hongtao Dang, Tiankui Zhu, Zhen HuangAs a promising future energy material, g-C3N4 as a CO2 photo-thermal-reduction catalyst can effectively convert CO2 to renewable fuel, but the low yield and low product selectivity significantly limit its further development and application.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Elucidation of Ce/Zr ratio effects on the physical properties and catalytic performance of CuOx/CeyZr1−yO2 catalysts By pubs.rsc.org Published On :: Catal. Sci. Technol., 2024, Advance ArticleDOI: 10.1039/D4CY01012D, PaperMohammed Sifat, Michal Luchowski, Amol Pophali, Wenhui Jiang, Yunfan Lu, Byeongseok Kim, Gihan Kwon, Kwangsuk Yoon, Jihun Kim, Kwangjin An, Sang Eun Shim, Hocheol Song, Taejin KimAlthough cerium oxide (CeO2) is widely used as a catalyst support, its limited defect sites and surface oxygen vacancy/mobility should be improved.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Phenol Hydroxyl-Modified Imine-Based Covalent organic framework for enhanced solar-driven generation of H2O2 via Hydrogen Bonds By pubs.rsc.org Published On :: Catal. Sci. Technol., 2024, Accepted ManuscriptDOI: 10.1039/D4CY01096E, PaperLang Chen, Song Qin, Jiahui Hang, Bo Chen, Jinyang Kang, yang zhao, Shan-Yong Chen, Yongdong Jin, Hongjian Yan, Yuanhua Wang, Xia ChuanqinPhotosynthesis of H2O2 have been considered an eco-friendly strategy. However, the concentration of H2O2 in reported studies is far from industrial requirement. Herein, we present a strategy by employing phenolic...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Deciphering the role of chemisorbed CO in CO2 methanation: kinetic and mechanistic investigation over monometallic (Ru) and bimetallic (Ru–Ni) catalysts By pubs.rsc.org Published On :: Catal. Sci. Technol., 2024, Advance ArticleDOI: 10.1039/D4CY01004C, PaperPavan Dongapure, Jyoti Tekawadia, V. Satyam Naidu, R. Nandini DeviSupported metal catalysts have made prominent contributions to CO2 mitigation through conversion into useful chemicals.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Effect of SiO2 nanofluid concentration on micro-mechanical weakening behavior of coal By pubs.rsc.org Published On :: Nanoscale, 2024, 16,20100-20117DOI: 10.1039/D4NR03750B, PaperQuanle Zou, Bochao Xu, Weizhi Wang, Yulin Hu, Ting Liu, Qingsong Li, Tengfei Ma, Haolong Zheng, Zixuan HuoThe SiO2 nanofluids enhance coal wettability by promoting hydrogen bond formation, increasing hydrophilicity and water absorption. This weakens coal cohesion, causing softening.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 HKUST-1 MOF Nanoparticles: Non-classical Crystallization Route in Supercritical CO2 By pubs.rsc.org Published On :: Nanoscale, 2024, Accepted ManuscriptDOI: 10.1039/D4NR03070B, CommunicationJi Feng, Almond Lau, Igor V. NovosselovReducing MOF particles to the nanoscale size range is beneficial due to their increased surface-to-volume ratio, higher defects exposing metals and ligands, and short diffusion path. While great efforts have...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Controlling TiO2 photocatalytic behaviour via perhydropolysilazane-derived SiO2 ultrathin shell By pubs.rsc.org Published On :: Nanoscale, 2024, Advance ArticleDOI: 10.1039/D4NR03566F, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Darya Burak, Jae Hyun Han, Joon Soo Han, In Soo Kim, Md Abdur Rahman, Joel K. W. Yang, So-Hye ChoPHPS was transformed via TiO2 photocatalytic properties into ultrathin SiO2 shells, passivating TiO2 activity while retaining its whiteness and high refractive index—perfect for cosmetics, paints, and optical coatings.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Mixed phase Ti3+-rich TiO2 thin films by oxide defect engineered crystallization By pubs.rsc.org Published On :: Nanoscale, 2024, Accepted ManuscriptDOI: 10.1039/D4NR03545C, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Lauri Palmolahti, Harri Ali-Löytty, Markku Hannula, Tuomas Tinus, Kalle Lehtola, Antti Tukiainen, Jarno Reuna, Mika ValdenAmorphous TiO2 has insufficient chemical stability that can be enhanced with annealing induced crystallization. However, the crystalline structure is already predetermined by the defect composition of the amorphous phase. In...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Impact of catalyst support on water-assisted CO oxidation over PdO/MO2 (M = Sn, Ti, and Si) catalysts: experimental and theoretical investigation By pubs.rsc.org Published On :: Nanoscale, 2024, Advance ArticleDOI: 10.1039/D4NR03963G, PaperKun Liu, Luliang Liao, Guangfu LiaoThis study investigates the influence of different supports on PdO-based catalysts during CO oxidation, particularly under humid conditions.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Recent Progress of Two-dimensional Bi2O2Se and its Heterostructures By pubs.rsc.org Published On :: Nanoscale, 2024, Accepted ManuscriptDOI: 10.1039/D4NR03769C, Review ArticleXiaoyu Hu, Wen He, Dongbo Wang, Lei Chen, Xiangqian Fan, Duoduo Ling, Yanghao Bi, Wei Wu, Shuai Ren, Ping Rong, Yinze Zhang, Yajie Han, Jinzhong WangEver since the identification of graphene, the research on two-dimensional (2D) materials has garnered significant attention. As a typical layered bismuth oxyselenide, Bi2O2Se has attracted growing interest not only due...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Theoretical Understanding of the In-plane Tensile Strain Effects on Enhancing the Ferroelectric Performance of Hf0.5Zr0.5O2 and ZrO2 Thin Films By pubs.rsc.org Published On :: Nanoscale, 2024, Accepted ManuscriptDOI: 10.1039/D4NR03333G, PaperKun Hee Ye, Taeyoung Jeong, Seungjae Yoon, Dohyun Kim, Cheol Seong Hwang, Jung-Hae ChoiThe in-plane tensile strain was reported to enhance the ferroelectricity of Hf1-xZrxO2 thin films by promoting the formation of the polar orthorhombic (PO-) phase. However, its origin remains yet to...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Constructing Nickel Complex/Crystalline Carbon Nitride Hybrid with a Built-in Electric Field for Boosting CO2 Photoreduction By pubs.rsc.org Published On :: Nanoscale, 2024, Accepted ManuscriptDOI: 10.1039/D4NR03586K, PaperYanrui Li, Linda Wang, Bo Zhan, Liangqing Zhang, Xiaolin Zhu, Xiang GaoSluggish charge separation dynamics resulting from the amorphous structure and the lack of driving force for graphitic carbon nitride (GCN) limits its highly effective CO2 photoreduction performance. Herein, a built-in...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Copper(II)-based metal–organic framework delivery of calcium ascorbate for enhanced chemodynamic therapy via H2O2 self-supply and glutathione depletion By pubs.rsc.org Published On :: Biomater. Sci., 2024, 12,1871-1882DOI: 10.1039/D3BM01922E, PaperMeng Zhang, Hongjin Xue, Jiaxin Yang, Xin Zhao, Mei Xue, Wei Sun, Jianfeng Qiu, Zhihong ZhuA Cu/ZIF-8/Vc-Ca/HA nanosystem synchronously releases Fenton catalytic Cu2+ and Vc-Ca to achieve improved chemodynamic therapy via H2O2 self-supply and GSH depletion.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Enhancing antioxidant properties of CeO2 nanoparticles with Nd3+ doping: structural, biological, and machine learning insights By pubs.rsc.org Published On :: Biomater. Sci., 2024, 12,2108-2120DOI: 10.1039/D3BM02107F, PaperOscar Ceballos-Sanchez, Diego E. Navarro-López, Jorge L. Mejía-Méndez, Gildardo Sanchez-Ante, Vicente Rodríguez-González, Angélica Lizeth Sánchez-López, Araceli Sanchez-Martinez, Sergio M. Duron-Torres, Karla Juarez-Moreno, Naveen Tiwari, Edgar R. López-MenaThe antioxidant capabilities of nanoparticles are contingent upon various factors, including their shape, size, and chemical composition.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Towards a better understanding of the effect of protein conditioning layers on microbial adhesion: A focused investigation on Fibronectin and Bovine Serum Albumin layers on SiO2 surfaces By pubs.rsc.org Published On :: Biomater. Sci., 2024, Accepted ManuscriptDOI: 10.1039/D4BM00099D, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Maya Rima, Christina Villeneuve-Faure, Marvine Soumbo, Fatima El Garah, Ludovic Pilloux, Christine Roques, Kremena MakashevaThe interaction of foreign implants with its surrounding environment is significantly influenced by the adsorption of proteins on the biomaterial surfaces, playing role in the microbial adhesion. Therefore, understanding protein...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 One-pot synthesis of conjugated vinylene-extended viologen ionic radical polyacetylenes for visible light-promoted photocatalytic CO2 cycloaddition By pubs.rsc.org Published On :: Green Chem., 2024, 26,10876-10885DOI: 10.1039/D4GC03683B, PaperYanan Chang, Shuo Wang, Juan Chen, Zixuan Xu, Qing Shi, Yunjie Mao, Yanli Gai, Zhouyang Long, Guojian ChenIn situ synthesis of a conjugated vinylene-extended viologen ionic radical polyacetylene (VIRP-2) for visible light-promoted photocatalytic CO2 cycloaddition under ambient conditions.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 A sequential flow process of CO2 capture and conversion using cost-effective porous organic polymers By pubs.rsc.org Published On :: Green Chem., 2024, 26,10960-10968DOI: 10.1039/D4GC03494E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Zhongqi Wu, Zhong Li, Lei Hu, Samson Afewerki, Maria Strømme, Qian-Feng Zhang, Chao XuA sequential flow process utilizing cost-effective porous organic materials to capture CO2 and directly convert it into fine chemicals has been achieved, which could improve the practical applicability of CO2 capture and utilization technologies.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Straightforward solid-phase modification of TiO2 with propylphosphonic acid via manual grinding and shaker mixing: enhancing modification degree by thermal control while improving atom economy By pubs.rsc.org Published On :: Green Chem., 2024, 26,10907-10920DOI: 10.1039/D4GC03330B, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Kaimin Zhang, Jinxin Wang, Nick Gys, Elien Derveaux, Nahal Ghanemnia, Wouter Marchal, Peter Adriaensens, Vera MeynenThe straightforward manual grinding method achieves controllable grafting of organophosphonic acid onto TiO2, demonstrating its atom economy and greenness.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Electroreductive deoxygenative carboxylation of alkyl oxalates with CO2 By pubs.rsc.org Published On :: Green Chem., 2024, 26,10811-10817DOI: 10.1039/D4GC03452J, CommunicationYong Yuan, Hangfei Jiang, Ya-Nan Zhang, Yuyan Tao, Xincong Liu, Congde HuoAn electroreductive deoxygenative carboxylation of alkyl oxalates with CO2 is demonstrated.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 CO2 catalyzed recycling of polyester and polycarbonate plastics By pubs.rsc.org Published On :: Green Chem., 2024, Advance ArticleDOI: 10.1039/D4GC04782F, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Qiao Zhang, Nan Wang, Chenyang Hu, Peng-Yuan Li, Fu-Quan Bai, Xuan Pang, Xuesi Chen, Xianhong WangCO2 was found to be an efficient catalyst for depolymerizing common waste polyesters and polycarbonates via alcoholysis, yielding valuable organic molecules. CO2 was considered a Lewis acid–base pair, activating both polymers and alcohol.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Formaldehyde dehydrogenase SzFaldDH: an indispensable bridge for relaying CO2 bioactivation and conversion By pubs.rsc.org Published On :: Green Chem., 2024, Advance ArticleDOI: 10.1039/D4GC03745F, CommunicationBoxia Guo, Xiuling Ji, Yaju Xue, Yuhong HuangA novel formaldehyde dehydrogenase with outstanding reductive activity and kinetic properties was discovered for CO2 bioactivation and conversion.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 CO2 switchable solvents for sustainable dissolution, modification, and processing of cellulose materials: a critical review By pubs.rsc.org Published On :: Green Chem., 2024, Advance ArticleDOI: 10.1039/D4GC04032E, Critical Review Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Peter McNeice, Ben L. FeringaCO2 switchable solvents provide a convenient and environmental method to dissolve and process cellulose.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
o2 Dy/Assistant Manager Marketing – Ahmedabad(OEM Sales,3 yrs exp in Welding Wires,PowerTools/Gas/O2) By jobs.monsterindia.com Published On :: 2019-11-28 16:32:50 Company: P & I Management ConsultantsExperience: 3 to 4location: IndiaRef: 24341079Summary: Job Description: Job Description 1st Persons a. Persons should belongs to Ahmedabad or nearby areas as job location is Ahmedabad. Local Preferred. b. Should have Experience of 3 to 4 years of Welding Wires,Industrial Gas,O2,LPG,.... Full Article
o2 Dy/Assistant Manager Marketing – Bhopal (OEM/Dealer Sales, 4 yrs exp, Welding Wires, PowerTools, CO2 ) By jobs.monsterindia.com Published On :: 2019-11-28 16:32:50 Company: P & I Management ConsultantsExperience: 3 to 4location: IndiaRef: 24341083Summary: Job Description: JD for Dy/Assistant Manager-Bhopal a. Persons should belongs to MP (preferably Bhopal). As persons has to develop MP and Chhattisgarh customers. b. Should have Experience of 3 to 4 years of Welding Industry,.... Full Article
o2 Carbon taxes and emissions trading are cheapest ways of reducing CO2, OECD says By www.oecd.org Published On :: Mon, 04 Nov 2013 12:00:00 GMT Carbon taxes and emission trading systems are the most cost-effective means of reducing CO2 emissions, and should be at the centre of government efforts to tackle climate change,according to a new OECD study. Full Article
o2 Carbon taxes and emissions trading are cheapest ways of reducing CO2, OECD says By www.oecd.org Published On :: Mon, 04 Nov 2013 12:00:00 GMT Carbon taxes and emission trading systems are the most cost-effective means of reducing CO2 emissions, and should be at the centre of government efforts to tackle climate change,according to a new OECD study. Full Article
o2 Carbon taxes and emissions trading are cheapest ways of reducing CO2, OECD says By www.oecd.org Published On :: Mon, 04 Nov 2013 12:00:00 GMT Carbon taxes and emission trading systems are the most cost-effective means of reducing CO2 emissions, and should be at the centre of government efforts to tackle climate change,according to a new OECD study. Full Article
o2 X-ray absorption linear dichroism at the Ti K-edge of rutile (001) TiO2 single crystal By scripts.iucr.org Published On :: 2020-02-14 X-ray absorption linear dichroism of rutile TiO2 at the Ti K-edge provides information about the electronic states involved in the pre-edge transitions. Here, linear dichroism with high energy resolution is analyzed in combination with ab initio finite difference method calculations and spherical tensor analysis. It provides an assignment of the three pre-edge peaks beyond the octahedral crystal field splitting approximation and estimates the spatial extension of the corresponding final states. It is then discussed for the first time the X-ray absorption (XAS) of pentacoordinated titanium atoms due to oxygen vacancies and it is found that, similarly to anatase TiO2, rutile is expected to exhibit a transition on the low-energy side of peak A3. Its apparent absence in the experiment is related to the degree of p–d orbital mixing which is small in rutile due to its centrosymmetric point group. A recent XAS linear dichroism study on anatase TiO2 single crystals has shown that peak A2 has an intrinsic origin and is due to a quadrupolar transition to the 3d energy levels. In rutile, due to its centrosymmetric point group, the corresponding peak A2 has a small dipole moment explaining the weak transition. The results are confronted with recent picosecond X-ray absorption spectroscopy on rutile TiO2 nanoparticles. Full Article text
o2 Syntheses, crystal structures, and comparisons of rare-earth oxyapatites Ca2RE8(SiO4)6O2 (RE = La, Nd, Sm, Eu, or Yb) and NaLa9(SiO4)6O2 By scripts.iucr.org Published On :: 2019-06-21 Six different rare-earth oxyapatites, including Ca2RE8(SiO4)6O2 (RE = La, Nd, Sm, Eu, or Yb) and NaLa9(SiO4)6O2, were synthesized using solution-based processes followed by cold pressing and sintering. The crystal structures of the synthesized oxyapatites were determined from powder X-ray diffraction (P-XRD) and their chemistries verified with electron probe microanalysis (EPMA). All the oxyapatites were isostructural within the hexagonal space group P63/m and showed similar unit-cell parameters. The isolated [SiO4]4− tetrahedra in each crystal are linked by the cations at the 4f and 6h sites occupied by RE3+ and Ca2+ in Ca2RE8(SiO4)6O2 or La3+ and Na+ in NaLa9(SiO4)6O2. The lattice parameters, cell volumes, and densities of the synthesized oxyapatites fit well to the trendlines calculated from literature values. Full Article text
o2 Crystal structure of hexa-μ-chlorido-μ4-oxido-tetrakis{[1-(2-hydroxyethyl)-2-methyl-5-nitro-1H-imidazole-κN3]copper(II)} containing short NO2⋯NO2 contacts By scripts.iucr.org Published On :: 2019-06-25 The title tetranuclear copper complex, [Cu4Cl6O(C6H9N3O3)4] or [Cu4Cl6O(MET)4] [MET is 1-(2-hydroxyethyl)-2-methyl-5-nitro-1H-imidazole or metronidazole], contains a tetrahedral arrangement of copper(II) ions. Each copper atom is also linked to the other three copper atoms in the tetrahedron via bridging chloride ions. A fifth coordination position on each metal atom is occupied by a nitrogen atom of the monodentate MET ligand. The result is a distorted CuCl3NO trigonal–bipyramidal coordination polyhedron with the axial positions occupied by oxygen and nitrogen atoms. The extended structure displays O—H⋯O hydrogen bonding, as well as unusual short O⋯N interactions [2.775 (4) Å] between the nitro groups of adjacent clusters that are oriented perpendicular to each other. The scattering contribution of disordered water and methanol solvent molecules was removed using the SQUEEZE procedure [Spek (2015). Acta Cryst. C71, 9–16] in PLATON [Spek (2009). Acta Cryst. D65, 148–155]. Full Article text
o2 Crystal structure of poly[[(μ3-hydroxido-κ3O:O:O)(μ3-selenato-κ3O1:O2:O3)tris[μ3-2-(1,2,4-triazol-4-yl)acetato-κ3N1:N2:O]tricopper(II)] dihydrate] By scripts.iucr.org Published On :: 2019-07-16 The title coordination polymer, {[Cu3(C4H4N3O9)3(SeO4)(OH)]·2H2O}n or ([Cu3(μ3-OH)(trgly)3(SeO4)]·2H2O), crystallizes in the monoclinic space group P21/c. The three independent Cu2+ cations adopt distorted square-pyramidal geometries with {O2N2+O} polyhedra. The three copper centres are bridged by a μ3-OH anion, leading to a triangular [Cu3(μ3-OH)] core. 2-(1,2,4-Triazol-4-yl)acetic acid (trgly-H) acts in a deprotonated form as a μ3-κ3N1:N2:O ligand. The three triazolyl groups bridge three copper centres of the hydroxo-cluster in an N1:N2 mode, thus supporting the triangular geometry. The [Cu3(μ3-OH)(tr)3] clusters serve as secondary building units (SBUs). Each SBU can be regarded as a six-connected node, which is linked to six neighbouring triangles through carboxylate groups, generating a two-dimensional uninodal (3,6) coordination network. The selenate anion is bound in a μ3-κ3O1:O2:O3 fashion to the trinuclear copper platform. The [Cu3(OH)(trgly)3(SeO4)] coordination layers and guest water molecules are linked together by numerous O—H⋯O and C—H⋯O hydrogen bonds, leading to a three-dimensional structure. Full Article text
o2 The `super acid' BF3H2O stabilized by 1,4-dioxane: new preparative aspects and the crystal structure of BF3H2O·C4H8O2 By scripts.iucr.org Published On :: 2019-10-31 Highly Brønsted-acidic boron trifluoride monohydrate, a widely used `super acid-catalyst', is a colourless fuming liquid that releases BF3 at room temperature. Compared to the liquid components, i.e. boron trifluoride monohydrate and 1,4-dioxane, their 1:1 adduct, BF3H2O·C4H8O2, is a solid with pronounced thermal stability (m.p. 401–403 K). The crystal structure of the long-time-stable easy-to-handle and weighable compound is reported along with new preparative aspects and the results of 1H, 11B, 13C and 19F spectroscopic investigations, particularly documenting its high Brønsted acidity in acetonitrile solution. The remarkable stability of solid BF3H2O·C4H8O2 is attributed to the chain structure established by O—H⋯O hydrogen bonds of exceptional strength {O2⋯H1—O1 [O⋯O = 2.534 (3) Å] and O1—H1⋯O3i [2.539 (3) Å] in the concatenating unit >O2⋯H1—O1—H2⋯O3i<}, taking into account the molecular (non-ionic) character of the structural moieties. Indirectly, this structural feature documents the outstanding acidification of the H2O molecule bound to BF3 and reflects the super acid nature of BF3H2O. In detail, the C22(7) zigzag chain system of hydrogen bonding in the title structure is characterized by the double hydrogen-bond donor and double (κO,κO') hydrogen-bond acceptor functionality of the aqua ligand and dioxane molecule, respectively, the almost equal strength of both hydrogen bonds, the approximatety linear arrangement of the dioxane O atoms and the two neighbouring water O atoms. Furthermore, the approximately planar arrangement of B, F and O atoms in sheets perpendicular to the c axis of the orthorhombic unit cell is a characteristic structural feature. Full Article text
o2 Synthesis, crystal structure and characterizations of di-μ-cyanido-1:2κ2N:C;2:3κ2C:N-bis(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)-1κ8N1,N10,O4,O7,O13,O16,O21,O24;3κ8N1,N10,O4,O7,O13,O16,O21,O24-[5,10, By scripts.iucr.org Published On :: 2019-11-26 The title compound, [Fe(C44H24N8Cl4)(CN)2][K2(C18H36N2O6)2]·2C4H8O was synthesized and characterized by single-crystal X-ray diffraction as well as FTIR and UV–vis spectroscopy. The central FeII ion is coordinated by four pyrrole N atoms of the porphyrin core and two C atoms of the cyano groups in a slightly distorted octahedral coordination environment. The complex molecule crystallizes with two tetrahydrofuran solvent molecules, one of which was refined as disordered over two sets of sites with refined occupancies of 0.619 (5) and 0.381 (5). It has a distorted porphyrin core with mean absolute core-atom displacements Ca, Cb, Cm and Cav of 0.32 (3), 0.22 (3), 0.56 (2) and 0.37 (14) Å, respectively. The axial Fe—Ccyano bond lengths are 1.991 (2) and 1.988 (2) Å. The average Fe—Np (Np is a porphyrin N atom) bond length is 1.964 (10) Å. One of the O atoms and several C atoms of the 222 moiety [222 = 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane] were refined as disordered over two sets of sites with occupancy ratios of 0.739 (6):0.261 (6) and 0.832 (4):0.168 (4). Additional solvent molecules were found to be highly disordered and their contribution to the scattering was removed using the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9–18], which indicated a solvent cavity of volume 372 Å3 containing approximately 83 electrons. These solvent molecules are not considered in the given chemical formula and other crystal data. Full Article text
o2 The varied structures of cobalt(II)–pyridine (py)–sulfate: [Co(SO4)(py)4]n, [Co2(SO4)2(py)6]n, and [Co3(SO4)3(py)11]n By scripts.iucr.org Published On :: 2019-11-19 The solid-state structures of two cobalt–pyridine–sulfate compounds, namely catena-poly[[tetrakis(pyridine-κN)cobalt(II)]-μ-sulfato-κ2O:O'], [Co(SO4)(C5H5N)4]n, (1), and catena-poly[[tetrakis(pyridine-κN)cobalt(II)]-μ-sulfato-κ3O:O',O''-[bis(pyridine-κN)cobalt(II)]-μ-sulfato-κ3O,O':O'']n, [Co2(SO4)2(C5H5N)6]n, (2), are reported. Compound (1) displays a polymeric structure, with infinite chains of CoII cations adopting octahedral N4O2 coordination environments that involve four pyridine ligands and two bridging sulfate ions. Compound (2) is also polymeric with infinite chains of CoII cations. The first Co center has an octahedral N4O2 coordination environment that involves four pyridine ligands and two bridging sulfate ligands. The second Co center has an octahedral N2O4 coordination environment that involves two pyridine ligands and two bridging sulfate ions that chelate the Co atom. The structure of (2) was refined as a two-component inversion twin. Full Article text
o2 Crystal structure and Hirshfeld surface analysis of (C7H9N4O2)[ZnCl3(H2O)] By scripts.iucr.org Published On :: 2020-03-10 In the title molecular salt, 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium aquatrichloridozincate(II), (C7H9N4O2)[ZnCl3(H2O)], the fused ring system of the cation is close to planar, with the largest deviation from the mean plane being 0.037 (3) Å. In the complex anion, the ZnII cation is coordinated by three chloride ions and one oxygen atom from the water ligand in a distorted tetrahedral geometry. In the crystal, inversion dimers between pairs of cations linked by pairwise N—H⋯O hydrogen bonds generate R22(10) rings. The anions are linked into dimers by pairs of O—H⋯Cl hydrogen bonds and the respective dimers are linked by O—H⋯O and N—H⋯Cl hydrogen bonds. Together, these generate a three-dimensional supramolecular network. Hirshfeld surfaces were generated to gain further insight into the packing. Full Article text
o2 A redetermination of the crystal structure of the mannitol complex NH4[Mo2O5(C6H11O6)]·H2O: hydrogen-bonding scheme and Hirshfeld surface analysis By scripts.iucr.org Published On :: 2020-03-10 The redetermined structure [for the previous study, see: Godfrey & Waters (1975). Cryst. Struct. Commun. 4, 5–8] of ammonium μ-oxido-μ-[1,5,6-trihydroxyhexane-2,3,4-tris(olato)]bis[dioxidomolybdenum(V)] monohydrate, NH4[Mo2(C6H11O6)O5]·H2O, was obtained from an attempt to prepare a glutamic acid complex from the [Co2Mo10H4O38]6− anion. Subsequent study indicated the complex arose from a substantial impurity of mannitol in the glutamic acid sample used. All hydrogen atoms have been located in the present study and the packing displays N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds. A Hirshfeld surface analysis was also performed. Full Article text
o2 Different packing motifs in the crystal structures of three molecular salts containing the 2-amino-5-carboxyanilinium cation: C7H9N2O2+·Cl−, C7H9N2O2+·Br− and C7H9N2O2+·NO3−·H2O By scripts.iucr.org Published On :: 2020-03-13 The syntheses and crystal structures of three molecular salts of protonated 3,4-diaminobenzoic acid, viz. 2-amino-5-carboxyanilinium chloride, C7H9N2O2+·Cl−, (I), 2-amino-5-carboxyanilinium bromide, C7H9N2O2+·Br−, (II), and 2-amino-5-carboxyanilinium nitrate monohydrate, C7H9N2O2+·NO3−·H2O, (III), are described. The cation is protonated at the meta-N atom (with respect to the carboxy group) in each case. In the crystal of (I), carboxylic acid inversion dimers linked by pairwise O—H⋯O hydrogen bonds are seen and each N—H group forms a hydrogen bond to a chloride ion to result in (100) undulating layers of chloride ions bridged by the inversion dimers into a three-dimensional network. The extended structure of (II) features O—H⋯Br, N—H⋯Br and N—H⋯O hydrogen bonds: the last of these generates C(7) chains of cations. Overall, the packing in (II) features undulating (100) sheets of bromide ions alternating with the organic cations. Intermolecular interactions in the crystal of (III) include O—H⋯O, O—H⋯(O,O), N—H⋯O, N—H⋯N and O—H⋯N links. The cations are linked into (001) sheets, and the nitrate ions and water molecules form undulating chains. Taken together, alternating (001) slabs of organic cations plus anions/water molecules result. Hirshfeld surfaces and fingerprint plots were generated to give further insight into the intermolecular interactions in these structures. The crystal used for the data collection of (II) was twinned by rotation about [100] in reciprocal space in a 0.4896 (15):0.5104 (15) ratio. Full Article text
o2 Ni3Te2O2(PO4)2(OH)4, an open-framework structure isotypic with Co3Te2O2(PO4)2(OH)4 By scripts.iucr.org Published On :: 2020-04-03 Single crystals of Ni3(TeO(OH)2)2(PO4)2, trinickel(II) bis[(oxidodihydoxidotellurate(IV)] bis(phosphate),were obtained by hydrothermal synthesis at 483 K, starting from NiCO3·2Ni(OH)2, TeO2 and H3PO4 in a molar ratio of 1:2:2. The crystal structure of Ni3Te2O2(PO4)2(OH)4 is isotypic with that of Co3Te2O2(PO4)2(OH)4 [Zimmermann et al. (2011). J. Solid State Chem. 184, 3080–3084]. The asymmetric unit comprises two Ni (site symmetries overline{1}, 2/m) one Te (m), one P (m), five O (three m, two 1) and one H (1) sites. The tellurium(IV) atom shows a coordination number of five, with the corresponding [TeO3(OH)2] polyhedron having a distorted square-pyramidal shape. The two NiII atoms are both octahedrally coordinated but form different structural elements: one constitutes chains made up from edge-sharing [NiO6] octahedra extending parallel to [010], and the other isolated [NiO2(OH)4] octahedra. The two kinds of nickel/oxygen octahedra are connected by the [TeO3(OH)2] pyramids and the [PO4] tetrahedra through edge- and corner-sharing into a three-dimensional framework structure with channels extending parallel to [010]. Hydrogen bonds of medium strength between the hydroxy groups and one of the phosphate O atoms consolidate the packing. A quantitative structure comparison between Ni3Te2O2(PO4)2(OH)4 and Co3Te2O2(PO4)2(OH)4 is made. Full Article text
o2 Synthesis, structure, magnetic and half-metallic properties of Co2−xRuxMnSi (x = 0, 0.25, 0.5, 0.75, 1) compounds By scripts.iucr.org Published On :: 2020-01-01 A series of Co2−xRuxMnSi (x = 0, 0.25, 0.5, 0.75, 1) Heusler compounds were successfully synthesized. The heat-treatment conditions were crucial to make the materials form a single phase with a Heusler structure. With increasing Ru content, the half-metallic gap, lattice parameters and magnetization are continuously adjustable in a wide range. The Co2−xRuxMnSi (x = 0, 0.25) compounds are rigorous half-metals and show a T3 dependence of resistance at low temperature. The Co2−xRuxMnSi (x = 0.5, 0.75, 1) Heusler compounds are the nearly half-metallic materials and show a semiconductive dependence of resistance at low temperature. The experimental magnetization is consistent with that in theory and follows the Slater–Pauling rule. The Curie temperature is higher than 750 K for all Co2−xRuxMnSi Heusler compounds. Full Article text
o2 Quantifying redox heterogeneity in single-crystalline LiCoO2 cathode particles By scripts.iucr.org Published On :: 2020-03-13 Active cathode particles are fundamental architectural units for the composite electrode of Li-ion batteries. The microstructure of the particles has a profound impact on their behavior and, consequently, on the cell-level electrochemical performance. LiCoO2 (LCO, a dominant cathode material) is often in the form of well-shaped particles, a few micrometres in size, with good crystallinity. In contrast to secondary particles (an agglomeration of many fine primary grains), which are the other common form of battery particles populated with structural and chemical defects, it is often anticipated that good particle crystallinity leads to superior mechanical robustness and suppressed charge heterogeneity. Yet, sub-particle level charge inhomogeneity in LCO particles has been widely reported in the literature, posing a frontier challenge in this field. Herein, this topic is revisited and it is demonstrated that X-ray absorption spectra on single-crystalline particles with highly anisotropic lattice structures are sensitive to the polarization configuration of the incident X-rays, causing some degree of ambiguity in analyzing the local spectroscopic fingerprint. To tackle this issue, a methodology is developed that extracts the white-line peak energy in the X-ray absorption near-edge structure spectra as a key data attribute for representing the local state of charge in the LCO crystal. This method demonstrates significantly improved accuracy and reveals the mesoscale chemical complexity in LCO particles with better fidelity. In addition to the implications on the importance of particle engineering for LCO cathodes, the method developed herein also has significant impact on spectro-microscopic studies of single-crystalline materials at synchrotron facilities, which is broadly applicable to a wide range of scientific disciplines well beyond battery research. Full Article text
o2 What the Ancient CO2 Record May Mean for Future Climate Change By insider.si.edu Published On :: Tue, 25 Oct 2016 16:11:59 +0000 The last time Earth experienced both ice sheets and carbon dioxide levels within the range predicted for this century was a period of major sea […] The post What the Ancient CO2 Record May Mean for Future Climate Change appeared first on Smithsonian Insider. Full Article Dinosaurs & Fossils Earth Science History & Culture Marine Science Science & Nature carbon dioxide climate change conservation biology extinction National Museum of Natural History
o2 Scientists find excess nitrogen favors plants that respond poorly to rising CO2 By insider.si.edu Published On :: Wed, 30 Jun 2010 17:09:21 +0000 Two grass species that had been relatively rare in the plots, Spartina patens and Distichlis spicata, began to respond vigorously to the excess nitrogen. Eventually the grasses became much more abundant. Nitrogen ultimately changed the composition of the ecosystem as well as its capacity to store carbon. The post Scientists find excess nitrogen favors plants that respond poorly to rising CO2 appeared first on Smithsonian Insider. Full Article Marine Science Plants Research News Science & Nature carbon dioxide climate change endangered species pollution Smithsonian Environmental Research Center
o2 High CO2 spurs wetlands to absorb more carbon By insider.si.edu Published On :: Tue, 16 Jul 2013 12:08:08 +0000 Under elevated carbon dioxide levels, wetland plants can absorb up to 32 percent more carbon than they do at current levels, according to a 19-year […] The post High CO2 spurs wetlands to absorb more carbon appeared first on Smithsonian Insider. Full Article Marine Science Plants Research News Science & Nature carbon dioxide Chesapeake Bay climate change conservation conservation biology Smithsonian Environmental Research Center