oni

An in-depth investigation of lead-free KGeCl3 perovskite solar cells employing optoelectronic, thermomechanical, and photovoltaic properties: DFT and SCAPS-1D frameworks

Phys. Chem. Chem. Phys., 2024, 26,27704-27734
DOI: 10.1039/D4CP02974G, Paper
Md. Tarekuzzaman, Mohammad Hasin Ishraq, Md. Shahazan Parves, M. A. Rayhan, Sohail Ahmad, Md. Rasheduzzaman, K A Al Mamun, M. Moazzam Hossen, Md. Zahid Hasan
Crystal structure of KGeCl3 and the design configuration of the KGeCl3-based PSC.
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Dynamics of ionic liquids by means of nuclear magnetic resonance relaxation – overview of theoretical approaches

Phys. Chem. Chem. Phys., 2024, 26,27248-27259
DOI: 10.1039/D4CP03183K, Review Article
Danuta Kruk, Elzbieta Masiewicz, Roksana Markiewicz, Rajendra Kumar Singh
Nuclear magnetic resonance relaxometry probes the translational and rotational dynamics of ionic liquids. To take advantage of this unique experimental potential, appropriate theoretical models are needed.
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oni

Exploring the valleytronic, optical, and piezoelectric properties of Janus MoBXY2 (X = N, P; Y = S, Se, Te) monolayers for multifunctional applications

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03793F, Paper
Luogang Xie, Lingli Wang, YanDong Ma, Hongyan Lu, Yang Yang
Unveiling novel Janus MoBXY2 monolayers with unique valleytronic, optical, and piezoelectric properties for multifunctional applications.
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oni

Insight into physico-chemical properties of oxalatoborate-based ionic liquids through combined experimental-theoretical characterization

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02296C, Paper
Open Access
Matteo Palluzzi, Giorgia Mannucci, Akiko Tsurumaki, Matteo Busato, Maria Assunta Navarra, Paola D’Angelo
An anion–anion attraction was inferred from the thermal behavior of oxalate-borate ionic liquids and confirmed through computational methods.
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First-principles study on stability, electronic and optical properties of 2D SbXY (X=Se/Te, Y=I/Br)Janus layers

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP04077E, Paper
Anjana E Sudheer , Amrendra Kumar, Tejaswini G, Muthu Vallinayagam, Matthias Posselt, Matthias Zschornak, Chinnathambi Kamal, D. Murali
Motivated by the exceptional optoelectronic properties of 2D Janus layers (JLs), we explore the properties of group Va antimony-based JLs SbXY (X=Se/Te, Y=I/Br). From the Bader charges, the elec-tric dipole...
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oni

Structural Distortion Driven Polaronic Transport and Table-like Magnetocaloric Properties in Polycrystalline Tb0.7Sr0.3MnO3 compound

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03760J, Paper
Dipak Mazumdar, I. Das, Kalipada Das
This research mainly explores the structural, magnetic, magneto-transport, and magnetocaloric properties of the polycrystalline Tb0.7Sr0.3MnO3 compound. The results reveal a significant modification of the compound’s ground state with increasing the...
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oni

Electronic Relaxation Pathways in Thio-Acridone and Thio-Coumarin: Two Heavy-Atom-Free Photosensitizers Absorbing Visible Light

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03720K, Paper
Open Access
Chris Acquah, Sean J. Hoehn, Sarah E. Krul, Steffen Jockusch, Shudan Yang, Sourav Kanti Seth, Eric Lee, Han Xiao, Carlos E. Crespo-Hernández
Heavy-atom-free photosensitizers (HAF-PSs) have emerged as a new class of photosensitizers aiming to broaden their applicability and versatility across various fields of the photodynamic therapy of cancers. The strategy involves...
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oni

Intermolecular Hydrogen Bonding Delineates Stability of Non-canonical Adenine Base Pairs: A First-Principles Study

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP02875A, Paper
Nicholas Adu-Effah, Nabanita Saikia
Non-canonical nucleobase pairs differ from canonical Watson-Crick (WC) pairs in their hydrogen bonding patterns. This study uses density functional theory with empirical dispersion correction to examine the stability and electronic...
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oni

Flexible molecular crystals for optoelectronic applications

Chem. Soc. Rev., 2024, 53,3687-3713
DOI: 10.1039/D3CS00116D, Review Article
Chuanxin Wei, Liang Li, Yingying Zheng, Lizhi Wang, Jingyao Ma, Man Xu, Jinyi Lin, Linghai Xie, Panče Naumov, Xuehua Ding, Quanyou Feng, Wei Huang
This review provides a comprehensive and concise overview of the current flexible molecular crystals, specifically concerning their mechanical properties and optoelectronic performance, intending to advance their flexible optoelectronic applications.
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oni

Open science : knowledge for everyone / Monique Polak ; illustrated by Catherine Chan

Polak, Monique, author




oni

Efficient reduction of nitrate to ammonia on AuPt@ZIF-8 composite film

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC05045B, Communication
Yijie Yang, Guorui Tang, Xiaoyun Liu, Liu Yang, Ruimin Gao, Cheng-Peng Li
The nitrate reduction represents a sustainable strategy for water denitrification. Herein we design ZIF-8 coated porous AuPt alloy composite film for electrocatalytic nitrate reduction with superior ammonia yield of (131.5...
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oni

Supramolecular self-sorting predicted by a simple harmonic oscillator model

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05336B, Communication
Open Access
Adriana Sacristán-Martín, Nerea Álvarez-Llorente, Eric Masson, Alberto Diez-Varga, Héctor Barbero
The self-sorting process of homobimetallic Pt(II) terpyridyl acetylide dimers secured by a pair of Cucurbit[8]uril macrocycles with recognition motif mismatch can be quantified using a model comprising two coupled harmonic oscillators.
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oni

Carboxylative cyclization of atmospheric CO2 with alkynol catalyzed by a 1-methylhydantoin anion-functionalized ionic liquid via chelative interactions

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC03586K, Communication
Yujun Guo, Tingting Chen, Yingjie Xu
[1-MHy] acts as a “pincer ligand” to form chelative interactions with –OH to enhance MBY activation, thus ensuring efficient [P4442][1-MHy]-catalyzed reaction of atmospheric pressure CO2 with MBY under metal- and solvent-free conditions.
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oni

Exploring the effect of pressure on the crystal structure and caloric properties of the molecular ionic hybrid [(CH3)3NOH]2[CoCl4]

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05125D, Communication
Open Access
Pedro Dafonte-Rodríguez, Ignacio Delgado-Ferreiro, Javier García-Ben, Angel Ferradanes-Martínez, María Gelpi, Julian Walker, Charles James McMonagle, Socorro Castro-García, María Antonia Señarís-Rodríguez, Juan Manuel Bermúdez-García, Manuel Sánchez-Andújar
The hybrid metal halide [(CH3)3NOH]2CoCl4 exhibits a first-order phase transition at T ∼ 343 K.
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oni

Zirconium metal–organic framework photocatalysis with TEMPO for blue light-powered aerobic sulfoxidation

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05173D, Communication
Bing Zeng, Yuexin Wang, Kanghui Xiong, Keke Zhang, Siyu Zhang, Xianjun Lang
A catalytic amount of TEMPO, mobile in the reaction medium, enhances the hole transfer of NU-1003 photocatalysis for blue light-powered oxidation of organic sulfides with O2.
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oni

Enhancing the performance of ionic conductivity for solid-state electrolytes: an effective strategy of injecting lithium ions within anionic metal–organic frameworks

Chem. Commun., 2024, 60,13416-13419
DOI: 10.1039/D4CC04515G, Communication
Lu Shi, Xin Wang, Zhiliang Liu
An ionotropic MOF (Li+[Cu-BTC]) with lithium ions in the pores of the lattice was synthesized, which displays outstanding lithium ionic conducting properties over a wide temperature range.
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oni

Kozhikode’s iconic sharbat shop downs shutters

The shop, near the C.H. Flyover junction, often has around twenty people waiting outside at any time of the day




oni

The origins of the Bengali tradition of ‘cha-ta’ may be colonial

Evenings snacks are a serious business with Bengali cha and the tradition may have something to do with the high tea of the Brits




oni

The structural, electronic and thermodynamic properties of the designed p-benzoquinone based dicationic ionic liquids: insight from DFT–GD3 and QTAIM

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00119B, Paper
Hossein Roohi, Sajedeh Habibipour, Khatereh Ghauri
In this work, physicochemical properties of the dicationic ionic liquids [BTAD][A1–8]2 ([BTAD]2+ = [p-C6O2(N3H2)2]2+ and A1–8 = [CH3CO2], [CF3CO2], [N(CN)2], [CF3SO3], [ClO4], [BF4], [NTf2] and [PF6]) were theoretically investigated.
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oni

Effects of Mixed Phases on Ionic Conductivities for (LaF3)1–x(PbF2)x Fast-Fluoride-Ion-Conducting Solid Electrolytes

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ01063A, Paper
Ming Zhang, Yaowei Hao, Qiaojun Nie, Xiaocao Cao, Jiafan Zheng, Kai Zhang, Jun Zheng, Haodong Wang, Yafang Zhao, Jiayi Liu, Zhiguang Lin, Zhongrong Shen
The research on all-solid-state fluoride-ion batteries (FIBs) with a high theoretical energy density has attracted considerable attention due to their enhanced safety features and superior capacity. The selection of solid...
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oni

A boron nitride–carbon composite derived from ammonia borane and ZIF-8 with promises for the adsorption of carbon dioxide

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00643G, Paper
Open Access
Carlos A. Castilla-Martinez, Christophe Charmette, Jim Cartier, Umit B. Demirci
In the present study, we report the synthesis, characterization and assessment of the carbon dioxide adsorption capacity of a composite made of boron nitride and carbon.
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oni

Effect of ammonia addition on dispersion and activity of supported copper species on porous silica-alumina hollow spheres for catalytic decomposition of nitrous oxide

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00808A, Paper
Tetsuo Umegaki, Takeru Nakamura, Yoshiyuki Kojima
This work investigated influence of ammonia addition in the immersion process of active species on dispersion and activity of copper supported porous hollow silica-alumina spheres catalysts for decomposition of nitrous...
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oni

Exploring the impact of a cetyltrimethylammonium bromide surfactant on the electrochemical performance of tungsten oxide thin films

New J. Chem., 2024, Advance Article
DOI: 10.1039/D3NJ05635J, Paper
Munazza Razzaq, Muhammad Saifullah, Ramzan Akhtar, Muhammad Jawad Khan, Zahid Imran, Muhammad Rehan, Ahsan Jamal, Sajid Iqbal, Mohsin Ali Raza Anjum, Sheeraz Mehboob
A WO3 thin film prepared with a CTAB/Na2WO4·2H2O molar ratio of 2.451 exhibits considerably improved current density, charge storage capacity, and diffusion kinetics.
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oni

Peptide-linked perylenebisimide and ferrocene dicarboxylic acid conjugates with tunable optoelectronic properties

New J. Chem., 2024, 48,7225-7234
DOI: 10.1039/D3NJ05809C, Paper
Biswanath Hansda, Soumyajit Hazra, Niladri Hazra, Purnadas Ghosh, Arindam Banerjee
Peptide linked perylenebisimide and ferrocene dicarboxylic acid conjugates display wonderful and tunable optoelectronic properties.
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oni

Impact of Cr doping on the structural and optoelectronic properties of a CsPbIBr2 perovskite solar cell

New J. Chem., 2024, 48,7205-7212
DOI: 10.1039/D4NJ00681J, Paper
M. I. Khan, Ali Mujtaba, Saddam Hussain, Asif Hussain, Dalil Bulayis N AlResheedi, Zainab Mufarreh Elqahtani, El Sayed Yousef, Norah Alwadai
The Cr–CsPbIBr2 device showed enhanced performance, with increased grain size, reduced energy band gap, and elevated efficiency from 9.64% to 12.06%.
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oni

Synthesis of copper(II) complex-functionalized Fe3O4@ISNA (ISNA = isonicotinic acid) as a magnetically recoverable nanomaterial: catalytic studies in alcohol oxidation and nitrophenol reduction, and TD-DFT studies

New J. Chem., 2024, 48,7308-7322
DOI: 10.1039/D3NJ05440C, Paper
Rimpa Mondal, Aratrika Chakraborty, Ennio Zangrando, Madhulata Shukla, Tanmay Chattopadhyay
The synthesis of a magnetically separable nanocatalyst Fe3O4@ISNA@CuL1 used as a catalyst for oxidation of alcohols and reduction of nitrophenols.
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oni

Sulfonic groups modified carbon nanotubes: the decorative strategy for enhancing the performance of lithium-sulfur batteries

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00927D, Communication
Chensong Yang, Yakun Tang, Yue Zhang, Xingyan Zeng, Mengyao Dai, Lang Liu
Porous carbon nanotubes can not only provide a large surface area for anchoring sulfur and restraining polysulfides, but also provide continuous conductive networks to facilitate ion transport in lithium-sulfur batteries...
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oni

Ultrasound-assisted ionic liquid-mediated green method for synthesis of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidines, their anti-tubercular activity, molecular docking study and ADME predictions

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00563E, Paper
Sravanthi Baddepuri, G. Rama Krishna, Jyothi Kumari, Sriram Dharmarajan, Srinivas Basavoju
The aim of the study is to develop the synthesis of a novel series of potent anti-tubercular (anti-TB) activity of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidine derivatives via an efficient green approach achieved by...
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oni

Medieval afterlives [electronic resource] : transforming traditions in Shakespeare and early English drama / edited by Daisy Black and Katharine Goodland

Manchester: Manchester University Press, 2024




oni

An-Nashra [electronic resource]

[Columbus, Ohio] : [American Association of Teachers of Arabic], 1967-




oni

Journal of Slavic linguistics [electronic resource]

Bloomington, Ind. : Slavica Publishers




oni

Journal of the fantastic in the arts [electronic resource]

[Armonk, NY] : M.E. Sharpe, 1988-




oni

Journal of the International Arthur Schnitzler Research Association [electronic resource]

Binghamton, NY : State University of New York at Binghamton, 1961-1967




oni

Journal of the New Zealand Slavists' Association [electronic resource]

Wellington, N.Z. : New Zealand Slavonic Journal, 1967




oni

Plasmonic-based Raman sensor for ultra-sensitive detection of pharmaceutical waste

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D3EN00821E, Paper
Open Access
Mohamed Hamode, Alon Krause, Maria Shehadeh, Bruria Schmerling, Tchiya Zar, Iddo Pinkas, David Zitoun, Adi Salomon
Pharmaceutical waste and contaminants pose a significant global concern for water and food safety.
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oni

Integrated microfluidic-based ultrafine water condensation particle counter (UWCPC) for monitoring of airborne nanoparticle generation and growth mechanisms

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D3EN00686G, Paper
Seong-Jae Yoo, Yong-Jun Kim
This study reports a newly developed condensation particle counter for nanoparticle source tracking, growth mechanism analysis, and wide area nanoparticle monitoring.
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oni

3D architectured zinc–chromium layered double hydroxide with nickel cobalt sulfide composite for the electrochemical detection of ronidazole

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D3EN00804E, Paper
Thangavelu Sakthi Priya, Tse-Wei Chen, Shen-Ming Chen, Thangavelu Kokulnathan, Bih-Show Lou, Riaz Ullah, Wedad A. Al-onazi, Mohamed S. Elshikh
Antibiotic overuse prompts mutation, and ecotoxicity, requiring precise ronidazole (RZ) detection; we developed zinc chromium layered double hydroxide with nickel cobalt sulfide (ZC/NCS) based electrochemical sensor to monitor RZ in diverse matrices.
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oni

Composite materials based on halloysite clay nanotubes and cellulose from Posidonia oceanica sea balls: from films to geopolymers

Environ. Sci.: Nano, 2024, 11,1508-1520
DOI: 10.1039/D3EN00879G, Paper
Martina Maria Calvino, Giuseppe Cavallaro, Stefana Milioto, Giuseppe Lazzara
The combination of natural halloysite nanotubes and cellulose recovered from egagropili is effective to fabricate composite films and geopolymers promising for packaging and building applications, respectively.
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oni

Zeolite-like ion-exchanged Cu-attapulgite catalysts for promoted selective oxidation of ammonia

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D4EN00157E, Paper
Xuebin Zhang, Tianwei Lan, Qiuying Yi, Yufei Wang, Danhong Cheng, Dengsong Zhang
Zeolite-like ion-exchanged Cu-attapulgite catalysts have been developed for selective catalytic oxidation of ammonia.
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oni

Correction: Nano-pelargonidin modulates p53/PARP/HSP 90/XRCC1 signaling axis to combat cypermethrin-induced genotoxicity and metabolic dysfunction in fish: a molecular docking predicted in vivo approach

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D4EN90017K, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Priyanka Sow, Sudatta Dey, Rishita Dey, Asmita Samadder, Sisir Nandi, Debojyoti Tarafdar, Anisur Rahman Khuda-Bukhsh
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oni

A zwitterionic salt–cocrystal: in vitro insights from niraparib tosylate, an anti-cancer drug

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D4CE00114A, Paper
Ramesh Reddy Mudda, Ramesh Devarapalli, Arijit Das, Pulla Reddy Lakkireddy, C. Malla Reddy, Ramanaiah Chennuru
Schematic representation showing nomenclature of different cocrystals.
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oni

Rock-salt Ti1−xO → rutile TiO2−x transformation twinning via pulsed laser deposition – implications for the dense (hkl)-specific phase change and optoelectronic properties

CrystEngComm, 2024, 26,1926-1939
DOI: 10.1039/D3CE01091K, Paper
Chang-Ning Huang, Jian-Yu Chen, Yu-Xuan Lin, Pouyan Shen
The R + r intimate intergrowth was found to form a butterfly twin following the optimum crystallographic orientation relationship [101]R//[11̄]r by the close-packed (̄11)R and (011)r planes as the twin boundary and phase interface, respectively.
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oni

Two multifunctional Dy(III)-based metal–organic frameworks exhibiting proton conduction, magnetic properties and second-harmonic generation

CrystEngComm, 2024, 26,2033-2042
DOI: 10.1039/D4CE00065J, Paper
Ya-Qing Liao, Tian-Zheng Xiong, Kang-Le Xie, Huan Zhang, Jun-Jie Hu, He-Rui Wen
Two novelty Dy-MOFs were synthesized using H4DTTP-2OMe ligand. MOF 1 displays a more superior proton conductivity, field-induced single molecule magnets behavior and obvious second-order nonlinear optical properties.
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oni

Coral-mimetic production of aragonite films from CO2 captured by biogenic polyamines

CrystEngComm, 2024, 26,2065-2071
DOI: 10.1039/D4CE00126E, Paper
Open Access
Kohei Takashina, Hiroto Watanabe, Yuya Oaki, Yoshikazu Ohno, Ko Yasumoto, Hiroaki Imai
We designed CaCO3 films comprised of aragonite nanorods by mimicking the microstructure and the formation process of the calcareous skeleton of a stony coral in the sea.
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oni

Ionic liquid-functionalized metal organic frameworks and their composite membranes for enhanced proton transport

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00186A, Highlight
Jeong Hwa Song, Seyoung Koo, Dong Won Kang
Post-synthetic modification is gaining prominence as a highly effective strategy for enhancing the functionality of porous materials without significant structural changes. Recently, there is growing interest in research focusing on...
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oni

Structural diversity and tetrel bonding significance in lead(II) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00325J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ghodrat Mahmoudi, Isabel Garcia-Santos, Roi Fernández-Vázquez, Rosa Maria Gomila, Alfonso Castineiras, Esmail Doustkhah, Ennio Zangrando, Antonio Frontera
Four lead(II) complexes featuring pyrazoylisonicotinoylhydrazone ligand paired with various anionic co-ligands (azido, thiocyanato, nitrito, and nitrato) were synthesized and thoroughly examined using structural, analytical, and spectroscopic techniques. These ligands, in...
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oni

Highly enhanced cationic dye adsorption from water by nitro-functionalized Zn-MOF nano/microparticles and a biomolecular binder for improving the reusability

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D4CE00131A, Paper
Gunasekaran Arunkumar, Mehboobali Pannipara, Abdullah G. Al-Sehemi, Savarimuthu Philip Anthony
Zn-MOF with a nitro-functionalized ligand exhibited enhanced cationic dye adsorption, and binder coating improved the reusability.
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oni

Nitro group and K+-based secondary building units for the self-assembly of 3D coordination polymers built on dinuclear dianionic helicate connectors

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D4CE00255E, Paper
Open Access
Raúl Mendoza-Báez, Alan Molina-Renteria, Juan Olguín
Two dinuclear dianionic helicates, K2[MII2(L)3] M = MnII (1) and NiII (2), based on 2-hydroxy-5-nitrobenzaldehyde, self-assemble into novel 3D coordination polymers due to nitro groups acting as secondary assembly instruction.
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oni

A stable metal azolate framework with rare nonintersecting one-/two-dimensional pore channels

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00318G, Communication
Heng Yi, Mu-Yang Zhou, Le Ye, Xiao-Tong Lu, Dong-Dong Zhou, Jie-Peng Zhang
It is challenging to design and synthesize stable crystalline structures with heterogeneous pores. Herein, we design and synthesize a new azole ligand with rich aromatic moieties and trifluoromethyl groups, and...
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oni

Synthesis and structural trends in a series of simple tetraalkylphosphonium salts

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00210E, Paper
Jakub Gawraczynski, Piotr J Leszczynski, Michal Ksawery Cyranski, Łukasz Dobrzycki, Wiktor Koźmiński, Karol J. Fijalkowski, Wojciech Grochala, Tomasz Jaroń
A series of sulfates (S) and hydrogen sulfates (HS) containing tetramethylphosphonium (TMP), tetraethylphosphonium (TEP) and tetrabutylphosphonium (TBP) cations have been prepared from the respective bromides using ion metathesis reactions. The...
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