the Dominant effect of the grain size of the MAPbI3 perovskite controlled by the surface roughness of TiO2 on the performance of perovskite solar cells By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2718-2727DOI: 10.1039/D0CE00169D, PaperMethawee Nukunudompanich, Gekko Budiutama, Kazuma Suzuki, Kei Hasegawa, Manabu IharaThe surface roughness of the c-TiO2 layer help controls the perovskite grain size without any other parameter. The direct effect of perovskite grain size on PSC performance is clarified.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Insights into OCP identification and quantification in the context of apatite biomineralization By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2728-2742DOI: 10.1039/C9CE01972C, PaperMarc Robin, Stanislas Von Euw, Guillaume Renaudin, Sandrine Gomes, Jean-Marc Krafft, Nadine Nassif, Thierry Azaïs, Guylène CostentinMonitoring apatite formation through in situ RAMAN and ex situ ssNMR spectroscopy.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Defective crystal plane-oriented induced lattice polarization for the photocatalytic enhancement of ZnO By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2709-2717DOI: 10.1039/C9CE01966A, PaperXiaojuan Bai, Boxuan Sun, Xuyu Wang, Tianshuo Zhang, Qiang Hao, Bing-Jie Ni, Ruilong Zong, Ziyang Zhang, Xiaoran Zhang, Haiyan LiThe mechanism of the photocatalytic reaction of defective ZnO systems was determined.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Stabilization of hydrogen peroxide by hydrogen bonding in the crystal structure of 2-aminobenzimidazole perhydrate By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2866-2872DOI: 10.1039/D0CE00096E, PaperAndrei V. Churakov, Dmitry A. Grishanov, Alexander G. Medvedev, Alexey A. Mikhaylov, Mikhail V. Vener, Mger A. Navasardyan, Tatiana A. Tripol'skaya, Ovadia Lev, Petr V. Prikhodchenko2-Aminobenzimidazole peroxosolvate – the third H2O2 crystalline adduct stabilized with the maximum possible number of hydrogen bonds formed by one hydrogen peroxide molecule.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Different effects in the selective detection of aniline and Fe3+ by lanthanide-based coordination polymers containing multiple reactive sites By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2837-2844DOI: 10.1039/D0CE00238K, PaperXinfang Liu, Liyong Du, Rongfang Li, Ningning Ma, Mengdi You, Xun FengIsostructural Ln-CPs (1-Eu and 2-Tb) show almost the same high detection ability for Fe3+ and different detection abilities for aniline. The detection difference was studied through PXRD, UV-vis, luminescence lifetimes and Hirshfeld surface analysis.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Designed synthesis of unique ZnS@CdS@Cd0.5Zn0.5S-MoS2 hollow nanospheres for efficient visible-light-driven H2 evolution By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2743-2755DOI: 10.1039/D0CE00064G, PaperBowen Sun, Hui Wang, Jiakun Wu, Yanling Geng, Jixiang Xu, Yaowei Wang, Yanyan Li, Haifeng Lin, Lei WangUnique ZnS@CdS@Cd0.5Zn0.5S-MoS2 hollow nanospheres with abundant active sites and enhanced light-harvesting and charge separation demonstrate efficient H2 evolution from visible-light-driven water-splitting.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Heterobimetallic complexes from 0D clusters to 3D networks based on various polycyanometallates and [Cu(dmpn)2]2+ (dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2806-2816DOI: 10.1039/D0CE00235F, PaperXiaoyun Hao, Jingwen Shi, Yong Dou, Tong Cao, Zhen Zhou, Lu Yang, Dacheng Li, Qingyun Liu, Jianzhuang Jiang, Daopeng ZhangSix new cyanide-bridged complexes (0–3D) have been assembled by employing one copper compound and six cyano precursors. Investigation of the magnetic properties revealed the ferro- or antiferromagnetic coupling between FeIII/CrI ion and CuII ion.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Machine learning methods to predict the crystallization propensity of small organic molecules By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2817-2826DOI: 10.1039/D0CE00070A, PaperFlorbela PereiraMachine learning algorithms were explored for the prediction of the crystallization propensity based on molecular descriptors and fingerprints generated from 2D chemical structures and 3D chemical structures optimized with empirical methods.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Synthesis of all-silica hollow zeolites by selective demetallation By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2845-2848DOI: 10.1039/D0CE00263A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Teng Li, Frank Krumeich, Jeroen A. van BokhovenExploiting the protective role of extra-framework aluminum species on the crystal rim, all-silica hollow zeolites are efficiently produced by demetallation.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Discovery of new polymorphs of the tuberculosis drug isoniazid By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2705-2708DOI: 10.1039/D0CE00440E, CommunicationKeke Zhang, Noalle Fellah, Alexander G. Shtukenberg, Xiaoyan Fu, Chunhua Hu, Michael D. WardTwo new metastable polymorphs of the tuberculosis drug isoniazid, considered monomorphic for sixty years, were discovered using melt crystallization and nanoscale confinement.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Investigation on the interconversion from DMF-solvated to unsolvated copper(II) pyrazolate coordination polymers By feeds.rsc.org Published On :: CrystEngComm, 2020, Advance ArticleDOI: 10.1039/D0CE00370K, PaperCorrado Di Nicola, Alessia Tombesi, Marco Moroni, Rebecca Vismara, Fabio Marchetti, Riccardo Pettinari, Luca Nardo, Guglielmo Vesco, Simona Galli, Silvia Casassa, Luciano Pandolfo, Claudio PettinariEnlarging the family of CPs with the {Cu(μ-pz)2} building unit: synthesis, thermal behaviour, crystal structure and spectroscopic properties of [Cu(μ-4-Xpz)2(μ-DMF)]n (4-Xpz = 4-Xpyrazolate, X = H, Cl, Br, I) and the non-solvated counterparts.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
the Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic By feeds.rsc.org Published On :: CrystEngComm, 2020, Accepted ManuscriptDOI: 10.1039/D0CE00317D, PaperZhen-Li Yang, Jian Qin, Jun- Qing Yang , Jianguo ZhangResearch on novel energetic coordination polymers (ECPs) is becoming increasingly important for energetic materials, numerous ECPs were reported and found to be potential energetic materials. In this study, 4,5-dicarboxylic-1,2,3-triazolean was...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Mesoporogen-free synthesis of hierarchical HZSM-5 for LDPE catalytic cracking By feeds.rsc.org Published On :: CrystEngComm, 2020, Accepted ManuscriptDOI: 10.1039/D0CE00255K, PaperYunhao Zang, Jinying Wang, Jianfeng Gu, Jiangying Qu, Feng GaoHerein, a mesoporogen-free, and steam-assisted route is proposed to synthesize highly crystalline hierarchical HZSM-5 using Stöber silica spheres as the precursor. The effect of crystallization time on the morphology and...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Role of Surface Phenomena on the Reaction of Molecular Solids: the Diels-Alder Reaction on Pentacene By feeds.rsc.org Published On :: CrystEngComm, 2020, Accepted ManuscriptDOI: 10.1039/D0CE00269K, PaperSelma Piranej, Michael A. W. Shelhart Sayers, Gregory J. Deye, Sergey N. Maximoff, Jonathan P. Hopwood, Haejun Park, Jean G. Slavsky, Jacob CiszekReactivity trends for molecular solids cannot be explained exclusively through topochemical phenomenon (i.e. diffusivity, reaction cavities) or electronic structure of the molecules. As an example of this class, Diels-Alder reactions...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the A water-stable terbium metal-organic framework with functionalized ligands for the detection of Fe3+, Cr2O72- ions in water and picric acid in seawater By feeds.rsc.org Published On :: CrystEngComm, 2020, Accepted ManuscriptDOI: 10.1039/D0CE00430H, PaperHai-Huan Yu, Jia-Qi Chi, Zhong-Min Su, Xiao Li, Jing Sun, Chen Zhou, Xiao-Li Hu, Qun LiuThe existence of Cr2O72- anions, excessive Fe3+ cations in water and picric acid in seawater have irreversible harm to human health and aquatic organism. Herein, a water-stable terbium metal-organic framework...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Synthesis of the finger-like MoS2@VS2 micro-nano composite with enhanced field emission performance By feeds.rsc.org Published On :: CrystEngComm, 2020, Accepted ManuscriptDOI: 10.1039/D0CE00347F, PaperYu Feng, Erwei Du, Shijing Gong, Ke Yu, Xiaofan Chen, Ziqiang ZhuThe MoS2@VS2 micro-nano composite was synthesized via a two-step hydrothermal method. The field emission properties of MoS2@VS2 micro-nano composite were investigated for the first time. The finger-like VS2 has a...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the A novel synthesis of YVO4:Ln3+ (Ln = Eu, Sm, and Dy) porous/hollow submicro-ellipsoids and their luminescence properties By feeds.rsc.org Published On :: CrystEngComm, 2020, Advance ArticleDOI: 10.1039/D0CE00526F, PaperShuang Zhao, Baiqi Shao, Yang Feng, Senwen Yuan, Langping Dong, Liang Zhang, Hongpeng YouA novel synthesis strategy of porous/hollow YVO4 submicro-ellipsoids with multicolor emissions has been developed based on the high structural matching of LYH and YVO4.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
the Graphene-based SiC nanowires with nanosheets: synthesis, growth mechanism and photoluminescence properties By feeds.rsc.org Published On :: CrystEngComm, 2020, Advance ArticleDOI: 10.1039/D0CE00297F, PaperZhihui Hu, Zhi Chen, Juntong Huang, Mingge Yan, Meng Zhang, Lei Zhang, Xibao Li, Zhijun Feng3C-SiC nanowires with nanosheets were synthesized via a direct reaction of Si vapor (from solid silicon) and SiO vapor (from silicon and silicon dioxide) with graphene nanosheets at 1500 °C without any additional metal catalyst.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
the A digital workflow from crystallographic structure to single crystal particle attributes for predicting the formulation properties of terbutaline sulfate By feeds.rsc.org Published On :: CrystEngComm, 2020, Advance ArticleDOI: 10.1039/D0CE00026D, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Thai T. H. Nguyen, Robert B. Hammond, Ioanna D. Styliari, Darragh Murnane, Kevin J. RobertsA detailed inter-molecular (synthonic) analysis of terbutaline sulfate, an ionic addition salt for inhalation drug formulation, is related to its crystal morphology, the surface chemistry of the habit faces and hence to its crystal surface energy.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
the Self-assembled natLiCl–CeCl3 directionally solidified eutectics for thermal neutron detection By feeds.rsc.org Published On :: CrystEngComm, 2020, Advance ArticleDOI: 10.1039/C9CE01884K, CommunicationShuangliang Cheng, Rachel E. Hunneke, Mengkun Tian, Eric Lukosi, Mariya Zhuravleva, Charles L. Melcher, Yuntao WuWe developed novel LiCl–CeCl3 eutectic scintillators that are capable of detecting thermal neutrons.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
the The effect of deuteration-levels in solution and temperature on the segregation coefficient of deuterium content in rapid-grown K(DxH1-x)2PO4 crystals using Raman spectroscopy By feeds.rsc.org Published On :: CrystEngComm, 2020, Accepted ManuscriptDOI: 10.1039/D0CE00386G, PaperJinxin Huang, Zongqi Wang, Bing Teng, Hong Liu, Xixi Zheng, Shaohua JiA series of K(DxH1-x)2PO4 (DKDP) crystals with different saturating temperature and deuteration levels were grown by point-seed rapid growth method. The correlation between deuterium segregation coefficient and temperature and deuterium...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Substituent effects on the crystallization mechanisms of 7-chloro-4-substituted-quinolines By feeds.rsc.org Published On :: CrystEngComm, 2020, Advance ArticleDOI: 10.1039/D0CE00214C, PaperJoão P. P. Copetti, Paulo R. S. Salbego, Tainára Orlando, Jéssica M. L. Rosa, Gabriela F. Fiss, João P. G. de Oliveira, Mário L. A. A. Vasconcellos, Nilo Zanatta, Helio G. Bonacorso, Marcos A. P. MartinsThe crystallization mechanisms of a series of fourteen 7-chloro-4-substituted-quinolines were proposed based on a retrocrystallization approach using the supramolecular cluster as demarcation.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
the Syntheses of Nymphaea-like BiOCl with oxygen vacancies for effectively remove tetracycline hydrochloride By feeds.rsc.org Published On :: CrystEngComm, 2020, Accepted ManuscriptDOI: 10.1039/D0CE00417K, PaperWeidong Hou, Jia Yang, Haiming Xu, Dongya Li, Zhongwei Zou, Dongsheng XiaNymphaea-like BiOCl with oxygen vacancies (OVs) was successfully prepared by adjusting the pH of the precursor and using aspartic acid as surfactant. The as-fabricated samples were investigated by XRD, SEM,...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Study of the versatility of CuBTC@IL-derived materials for heterogeneous catalysis By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2904-2913DOI: 10.1039/C9CE01157A, PaperEdurne S. Larrea, Roberto Fernández de Luis, Arkaitz Fidalgo-Marijuan, Eva M. Maya, Marta Iglesias, Maria I. ArriortuaThe versatility of CuBTC (HKUST-1) MOF materials to be functionalized to improve their catalytic activity performance was evaluated. CuBTC@IL catalysts are selective for the cycloaddition of CO2 to epoxides, giving rise to value-added products.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Diminishing accessibility of electrophilic nickel(II) centres due to incorporation of a methylene spacer in the pendant side arm of a series of heterotrinuclear nickel(II)/sodium complexes: a DFT study using a homodesmotic equation By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2970-2977DOI: 10.1039/D0CE00251H, PaperPrasanata Kumar Bhaumik, Abhisek Banerjee, Tamal Dutta, Sudipta Chatterjee, Antonio Frontera, Shouvik ChattopadhyayThe ethoxy groups have a dual effect in hindering the attack of the pseudo-halides on the nickel(II) centre and also in stabilizing the complex by intra-molecular interactions.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Effect of dilution in a hydrothermal process and post-synthetic annealing on the tailoring of hierarchical ZnO nanostructures By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,3059-3069DOI: 10.1039/D0CE00310G, PaperSmriti Thakur, Sanjay K. MandalMorphology transformation and dimensionality change as a result of dilution and post-synthetic annealing are reported.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Effect of particle size and morphology on the performance of BiFeO3–PDMS piezoelectric generators By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2919-2925DOI: 10.1039/D0CE00067A, PaperKohei Yoshiyama, Masae Mori, Manabu Hagiwara, Shinobu FujiharaThe effect of the size and morphology of piezoelectric BiFeO3 particles on the performance of BiFeO3–PDMS composite generators is revealed.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Influence of lamellar thickness on the transformation of isotactic polybutylene-1/carbon nanotube nanocomposites By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2990-2997DOI: 10.1039/D0CE00112K, PaperYan-Kai Li, Yu-Ge Wang, Cui-Liu Fu, You-Liang Zhu, Zhan-Wei Li, Zhao-Yan SunThe crystallization transformation from form II to form I in PB-1/CNT materials is mainly influenced by the lamellar thickness.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the An Sc-based coordination polymer with concaved superstructures: preparation, formation mechanism, conversion, and their electrochemistry properties By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2926-2932DOI: 10.1039/D0CE00086H, PaperHualan Xu, Ran Liu, Yongmei Zhu, Jinjiang Li, Changfeng Wan, Hang Zhang, Chuying Ouyang, Shengliang ZhongScandium-based coordination polymer octahedrons with concaved surfaces have been fabricated. The formation mechanism was also investigated. Sc2O3 octahedrons were obtained after simple calcination in a N2 atmosphere.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Highly porous aluminophosphates with unique three dimensional open framework structures from mild hydrothermal syntheses By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,3070-3078DOI: 10.1039/D0CE00075B, PaperYucheng Hao, Yang Pan, Yuan Lin, Linbo He, Guangjie Ge, Yu Ruan, Haida Zhou, Yang Xue, Kisan KoiralaThree novel highly porous aluminophosphates were synthesized through mild hydrothermal methods. Interestingly, among them, α-NaAlPO4(OH) is polar and exhibits moderate nonlinear optical properties with a short cutoff edge.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Nanosheet-assembled carbonated hydroxyapatite microspheres prepared by an EDTA-assisted hydrothermal homogeneous precipitation route By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2884-2888DOI: 10.1039/D0CE00305K, CommunicationMei-li Qi, Shengkun Yao, Xiao-Cun Liu, Xiaoning Wang, Fengkun CuiWell-defined carbonated hydroxyapatite microspheres assembled from nanosheets were synthesized by a Na2EDTA-assisted hydrothermal homogeneous precipitation route.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Step-by-step: uncommon SCSC transformation accompanied by stepwise change in the binding of a particular ligand within a mononuclear complex upon stepwise desolvation By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2895-2899DOI: 10.1039/D0CE00379D, CommunicationAndrey V. Gavrikov, Andrey B. Ilyukhin, Pavel S. KoroteevUncommon SCSC transformation when desolvation induces subtle changes within a mononuclear complex, namely a stepwise change in the binding of a particular ligand.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2889-2894DOI: 10.1039/D0CE00397B, Communication Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Peng Yang, Buthainah Alshankiti, Niveen M. KhashabIntrinsically porous molecular building blocks are used for the rational design and construction of molecular-level controlled porous materials.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Targeted crystal growth of uranium gallophosphates via the systematic exploration of the UF4–GaPO4–ACl (A = Cs, Rb) phase space By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,3020-3032DOI: 10.1039/D0CE00343C, PaperChristian A. Juillerat, Vladislav V. Klepov, Mark D. Smith, Hans-Conrad zur LoyeThe flux synthesis of a uranium gallophosphate and a uranium gallate, Cs4[UO2Ga2(PO4)4] and Cs2UO2Ga2O5, and 4 uranium phosphates, [Rb2Rb3.93Cl0.93][(UO2)5(PO4)5], Rb11[(UO2)8(PO4)9], Rb7.6[(UO2)8O8.6F0.4(PO4)2], and Rb6[(UO2)5O2(PO4)4], is reported.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Hydrothermal synthesis and tunable up-conversion white luminescence properties of KSc(MoO4)2:Ln3+ (Ln = Yb, Er, Tm and Ho) crystals By feeds.rsc.org Published On :: CrystEngComm, 2020, Advance ArticleDOI: 10.1039/D0CE00253D, PaperYini Mao, Li Jiang, Pengfei Xian, Qiongfen Fu, Shanshan Hu, Jun YangPure hexagonal phase KSc(MoO4)2 crystals with a hexagonal block shape were successfully synthesized via a one-step hydrothermal method.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
the Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3',4,4'-tetracarboxylic diimide units By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2964-2969DOI: 10.1039/D0CE00221F, PaperMasahide Tominaga, Kosuke Mizuno, Haruka Yamamoto, Tadashi Hyodo, Kentaro YamaguchiCrystallization of a diimide-based macrocycle having adamantane parts and several cyclic ethers in chloroform provided inclusion crystals, where both guests were cooperatively accommodated within inner spaces between the macrocycles.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the An X-shaped cyano–carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones By feeds.rsc.org Published On :: CrystEngComm, 2020, Advance ArticleDOI: 10.1039/D0CE00359J, CommunicationZhenfeng ZhangAn X-shaped CN⋯CO interaction, which plays a critical role in dictating the molecule conformation and crystal packing patterns, has been found to occur on the polar surface of (cyanoacetyl)hydrazones, and is rationalized by density functional theory calculations.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
the The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d–4f heterometallic compounds By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,2998-3004DOI: 10.1039/D0CE00039F, PaperRuirui Wang, Haili Wang, Juan Wang, Feifei Bai, Yue Ma, Licun Li, Qinglun Wang, Bin Zhao, Peng ChengFor the isomorphic tetranuclear 3d–4f compounds constructed by [M(CN)6]3− linking LnIII-Schiff-base units, the diamagnetic CoIII ions in the system could suppress QTM effectively and obtain a field-induced SMMs behavior.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(II) complexes and their strong fluorescence behaviors By feeds.rsc.org Published On :: CrystEngComm, 2020, 22,3005-3019DOI: 10.1039/D0CE00125B, PaperIpsita Mondal, Tanmoy Basak, Snehasis Banerjee, Shouvik ChattopadhyayA reduced Schiff base used as a fluorescence chemo-sensor for selective detection of zinc(II). Strong fluorescence behaviors of two zinc(II) complexes are correlated with the presence of a rigid hydrogen-bonded network in their solid state structure.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Lanthanide doped bismuth-based fluoride nanoparticles: controlled synthesis and ratiometric temperature sensing By feeds.rsc.org Published On :: CrystEngComm, 2020, Accepted ManuscriptDOI: 10.1039/D0CE00435A, PaperPengpeng Lei, Ran An, Chengyu Li, Jing Feng, Hongjie ZhangBismuth-based nanoparticles, especially NaBiF4, have attracted extensive attention as hosts of lanthanides (Ln3+) ions and other luminescent ions in recent years. However, controllable synthesis of NaBiF4 nanoparticles remains a challenge....The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Solution and calorimetric thermodynamic study of a new 1:1 sulfamethazine – 3- methylsalicylic acid co-crystal By feeds.rsc.org Published On :: CrystEngComm, 2020, Accepted ManuscriptDOI: 10.1039/D0CE00498G, PaperDipali Ahuja, Michael Svärd, Matteo Lusi, Ake RasmusonA new 1:1 co-crystal of sulfamethazine (API, SMT) and 3-methylsalicylic acid (coformer, 3mSA) has been synthesized and its crystal structure solved by single crystal X-ray diffraction (XRD). The co-crystal has...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the The impact of positional isomerism on electronic and photochromic properties of 1D zinc-based naphthalene diimide coordination polymers By feeds.rsc.org Published On :: CrystEngComm, 2020, Advance ArticleDOI: 10.1039/D0CE00025F, PaperPengfei Hao, Huihui Zhu, Yue Pang, Junju Shen, Yunlong FuThe positional isomeric DPNDI ligands can effectively modulate the interfacial contacts of electron donors/acceptors and the efficiency of electronic/photochromic properties.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
the Mining the Cambridge Database for theoretical chemistry. Mi-LJC: a new set of Lennard-Jones–Coulomb atom–atom potentials for the computer simulation of organic condensed matter By feeds.rsc.org Published On :: CrystEngComm, 2020, Advance ArticleDOI: 10.1039/D0CE00334D, PaperAngelo Gavezzotti, Leonardo Lo Presti, Silvia RizzatoA novel, universal Lennard-Jones–Coulomb (LJC) atom–atom force field parametrization reproduces the experimental sublimation enthalpies of 377 molecular crystals drawn from the CSD.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
the Phase transformations in a double complex salt of ruthenium nitrosyl anion with tetraamine-palladium cation By feeds.rsc.org Published On :: CrystEngComm, 2020, Accepted ManuscriptDOI: 10.1039/D0CE00441C, PaperGennadiy Kostin, Evgeny Filatov, Denis P Pishchur, Natalia Kuratieva, Sergey KorenevSecond-order phase transformation in double complex salt (DCS) [Pd(NH3)4][RuNO(NO2)4OH] was examined by DSC, single-crystal diffraction and powder diffraction. All data confirms the reversible “order-disorder” phase transition without sharp volume changes...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Ligand modulated the variable binuclear Cd2-SBU and structures of four layered coordination frameworks By feeds.rsc.org Published On :: CrystEngComm, 2020, Accepted ManuscriptDOI: 10.1039/D0CE00513D, PaperMengdie Wang, Jian Zhang, Yun-Kai Sun, Jing Wei, Chunhong Tan, Xiao-Feng WangFour layered coordination polymers, namely, [Cd2(fuma)2(phen)2] (1), [Cd2(BDC)2(phen)2]·2DMF (2), [Cd2(NDC)2(phen)2]·0.5H2O (3), [Cd2(NDC)2(bipy)2]·2DMF (4) have been synthesized under solvo-thermal conditions (fuma = fumaric acid, H2BDC = 1,4-benzenedicarboxylic acid, H2NDC =1,4-naphthalenedicarboxylic acid,...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Microstructure characteristics of non-monodisperse quantum dots: On the potential of transmission electron microscopy combined with X-ray diffraction By feeds.rsc.org Published On :: CrystEngComm, 2020, Accepted ManuscriptDOI: 10.1039/D0CE00312C, PaperStefan Neumann, Cristina Menter, Ahmed Salaheldin Mahmoud, Doris Segets, David RafajaAlthough the concept of quantum confinement was introduced more than thirty years ago, a wide application of the quantum dots is still limited by the fact that monodisperse quantum dots...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the Biological activity tuning of antibacterial urotropine via co-crystallization: synthesis, biological activity evaluation and computational insight By feeds.rsc.org Published On :: CrystEngComm, 2020, Advance ArticleDOI: 10.1039/D0CE00226G, PaperNida Tabassum, Panayiotis C. Varras, Fiza Arshad, Muhammad I. Choudhary, Sammer YousufUrotropine (1) is a synthetic heterocyclic antibacterial agent.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
the New pronounced progress in the synthesis of group 5 polyoxometalates By feeds.rsc.org Published On :: CrystEngComm, 2020, Advance ArticleDOI: 10.1039/D0CE00315H, HighlightJoanna Dopta, Lisa K. Mahnke, Wolfgang BenschThis highlight summarizes new developments made in group 5 polyoxometalate science of high nuclearity clusters with focus on synthetic approaches.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
the Chirality and Stereoisomerism of Organic Multicomponent Crystals in the CSD By feeds.rsc.org Published On :: CrystEngComm, 2020, Accepted ManuscriptDOI: 10.1039/D0CE00403K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Eline Grothe, hugo meekes, Rene de GelderWith the current interest in multicomponent crystals containing chiral residues, a wide variety of studies could benefit from a comprehensive inventory of chirality in multicomponent crystals. We combined computational approaches...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
the N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives. By feeds.rsc.org Published On :: CrystEngComm, 2020, Accepted ManuscriptDOI: 10.1039/D0CE00495B, PaperJohn D. Wallis, Alun Christopher Garner, Songjie YangMethyl 2,6-diaminobenzoate and its bis-triphenylboron complex show hydrogen bonding from NH2 groups to both oxygen atoms of the carboxylic ester, and there is little difference in the lengths of these...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article