RSC – CrystEngComm latest articles- New iodine-rich Group 15 iodometalates(III): self-assembly of metal halide anions and polyiodides into supramolecular architectures via I···I contacts Tháng mười một 28, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00992H, PaperIrina Shentseva, Nikita A. Korobeynikov, Andrey N. Usoltsev, Maksim Nailyevich Sokolov, Sergey A AdoninTwo polyiodometallates of Group 15 elements with general formula (H3O){(Py)2(CH2)3}6{[M2I11][MI5(I3)]2(I3)2}·3H2O (M = Sb (1), Bi (2)) were synthesized, featuring extended supramolecular networks based on iodine···iodine non-covalent interactions. The Optical band...The content of this RSS Feed (c) The […]Irina Shentseva
- Single-Crystal Ca₃Ge₃O₉ Calcium Germanate: Structure, Thermal and Optical Properties from Experiment and First-Principles Tháng mười một 28, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00913H, PaperHengyuan Zhang, Jipeng Wu, Yidong Ma, Feifei Chen, Xian ZhaoSingle-crystal calcium germanate (Ca3Ge3O9) was successfully synthesized by spontaneous crystallization. A combined of experimental and first- principles analyses was used to characterize its structure, thermal stability, and optical properties. Ca3Ge3O9...The content of this RSS Feed (c) The Royal Society of ChemistryHengyuan Zhang
- Halogen Substitution Driven Crystal Engineering of Chalcones: Mechanisms and Optimization for Spatial Ordering and Nonlinear Optical Performance Tháng mười một 28, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00897B, HighlightJinkang Ma, Fanghao Xuan, Qi Chu, Yaqi Qin, Zhiyuan Zhang, Yuekai Wu, Yangkai Zhang, Bing Teng, Lifeng CaoChalcones, α,β-unsaturated ketones with typical donor-π-acceptor (D-π-A) structures, are widely used in optoelectronic devices due to their excellent nonlinear optical (NLO) properties, such as second-harmonic generation and electro-optic modulation. However,...The content of this […]Jinkang Ma
- A Review of the Simulation of Point Defects in KDP Crystals Tháng mười một 28, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00982K, HighlightJianghai Wang, Wei Hong, Tingyu Liu, Hao Hu, Jiachen Zhu, Longfeng Zhao, Zehao Feng, Huifang Li, Xu Lu, Fang Xie, Yu Ren, Ning Meng, Huanhuan Liu, Jinsong Jiang, Wenqi Song, Liying YangKDP crystal is a frequency-doubling material with excellent optical properties, but the large number of intrinsic defects and metal […]Jianghai Wang
- Base and Anion Regulated Synthesis of Dysprosium Compounds Tháng mười một 28, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00940E, PaperFu-Hui Zhong, Chen-Yang Liu, Xiao-Yue Zheng, Chen Cao, Yan Peng, Zhao-Bo Hu, Sui-Jun Liu, He-Rui WenThree related Dy(III) based complexes: [Dy(TPA)(NO3)3] (1), [Dy2(µ-OH)2(TPA)2Cl2(MeOH)2][Cl2] (2) and [Dy2(µ-OH)2(TPA)2(TfO)2(H2O)2][TfO]2 (3) (TPA = tris(2-pyridylmethyl)amine, TfO = Trifluoromethanesulfonate) were synthesized based on the tris(2-pyridylmethyl)amine ligand, which could be regulated by...The content of this RSS Feed […]Fu-Hui Zhong
- Are there specific sub-classes of halogen bonds? Statistical analysis of interactions in crystal structures Tháng mười một 27, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00826C, PaperSlawomir J GrabowskiDifferent sub-classes of so-called halogen bonds are analysed, i.e. fluorine, chlorine, bromine and iodine bonds. These interactions are compared with analogous hydrogen bonds. For this purpose, the Cambridge Structural Database,...The content of this RSS Feed (c) The Royal Society of ChemistrySlawomir J Grabowski
- Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro Tháng mười một 27, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00875A, PaperPramod Kumar Maniyampara, BHAGIYALAKSHMI M, Prathapachandra M. R. Kurup, Manoj Easwaran Potti, Krishna K. Damodaran, Sithambaresan Maheswaran , Firasat HussainTo ascertain the influence of aroylhydrazone proligands, 2-benzoylpyridine-4bromobenzhydrazone (HBpB) and di-2-pyridyl ketone-4-bromobenzhydrazone (HDpB) on the coordination with the Ni(II) metal center and resulting supramolecular structures, six nickel(II) complexes such asand...The content […]Pramod Kumar Maniyampara
- New thermally stable and friction-insensitive nitrogen-rich salts: a synergy of 1,2,4-triazole, furoxan and hydroxytetrazole motifs Tháng mười một 26, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE01047K, PaperIrina Stebletsova, Alexander Larin, Dmitry B. Vinogradov, Alla N Pivkina, Nikita E. Leonov, Galina A. Gazieva, Leonid L. FershtatEnergetic materials are essential substances for the development of advanced aerospace technologies and welding applications. In this study, we synthesized new high-nitrogen energetic salts based on linearily linked 1,2,4-triazole, furoxan...The content of […]Irina Stebletsova
- Discovery of a Novel Acetone Hemisolvate of Metacetamol via Swift Cooling Crystallization Tháng mười một 26, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00927H, PaperArchitha Natarajan, Srinivasan KaruppannanIn this work, we report the discovery of a new solvated form of metacetamol—an acetone hemisolvate—obtained through a swift cooling crystallization process. The method generated relative supersaturation levels ranging from...The content of this RSS Feed (c) The Royal Society of ChemistryArchitha Natarajan
- Tailoring non-stoichiometric spinel Mn0.5Co2.5O4 via tunable microwave strategy toward advanced supercapacitor application Tháng mười một 26, 2025CrystEngComm, 2025, Advance ArticleDOI: 10.1039/D5CE00902B, PaperMaosheng Ge, Yuxuan Sheng, Zhiwen Fang, Wenhao Jiang, Jin Yan, Fatai Lu, Chengqi Sun, Yin SunNon-stoichiometric spinel Mn0.5Co2.5O4 porous nanowire array electrodes were successfully synthesized via a microwave-assisted hydrothermal method combined with defect engineering.To cite this article before page numbers are assigned, use the DOI form of citation above.The content […]Maosheng Ge
- Highly efficient overall water splitting enabled by a bimetallic FeRu-MOF electrocatalyst Tháng mười một 26, 2025CrystEngComm, 2025, Advance ArticleDOI: 10.1039/D5CE00930H, PaperJunling Chen, Heng Zhang, Tinghang Xu, Qiang Liu, Qiaonan Yu, Rong Liang, Qianxiang Zhao, Hanqing Lin, Lishuo Qi, Tiexin ZhangHydrothermally-synthesized FeRu-BDC/NF optimizes electronic structure and conductivity, with low HER (54 mV@10 mA cm−2) & OER (230 mV@50 mA cm−2) overpotentials, exceptional splitting stability (1.47 V@10 mA cm−2).To cite this article […]Junling Chen
- Heating enables solid-state motion and improves the yield of a [2 + 2] cycloaddition reaction within an organic cocrystal Tháng mười một 26, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00995B, CommunicationGary C George, Drew Owens, Damon M Osbourn, Kristin M Hutchins, Ryan GroenemanThe ability to overcome a suppressed yield for a [2 + 2] cycloaddition reaction, due to static disorder, by heating is reported. Increasing the temperature allows the ethylene groups within...The content of this RSS Feed (c) The Royal […]Gary C George
- Exploring non-covalent interactions in binary aromatic complexes Tháng mười một 26, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00989H, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Joseph C Bear, Jeremy Karl Cockcroft, Alexander Rosu-Finsen, Jeffrey Huw WilliamsCrystal structure prediction for systems governed by weak non-covalent interactions remain a significant challenge due to the complex energy landscapes involved. Herein, we have experimentally […]Joseph C Bear
- Preparation and application of advanced nanoporous GaN materials Tháng mười một 25, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00925A, HighlightBoen Zhang, Shiying Zhang, Dushuai Wei, Boyuan Yang, Defu Sun, Huidong Yu, Kaize Jiang, Benfa Wang, Yuzhu Wu, Qiubo Li, Lihuan Wang, Lei Zhang, Guodong Wang, Shouzhi Wang, Yu Zhang, Qingjun XuNanoporous gallium nitride (NP-GaN) possesses several advantages, including a large specific surface area, abundant surface active sites, a tunable […]Boen Zhang
- Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions Tháng mười một 25, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00866B, PaperLoic Groslambert, Andres Padilla-Hernandez, Avantika Hasija, Emmanuel Aubert, Patrick Pale, Victor MamaneIn this manuscript, we report the synthesis and X-ray characterization of a series of solvates and co-crystals involving triaryltelluronium salts and various Lewis bases. In some cases, the triaryltelluronium cation...The content of this RSS Feed (c) The Royal Society […]Loic Groslambert
- Comparative study on substrate quality of laser slicing and wire saw slicing for SiC wafers Tháng mười một 25, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00994D, PaperJianfei Zhang, Yiyang Chen, Linlin Che, Bixue Li, Xing Zhang, Haoyu Fan, Qingyu Li, Jiawei Wang, Yufeng Xue, Yangyang Jia, Qiu Chen, Xiufang Chen, Rongkun WangAs a representative wide-bandgap semiconductor material, silicon carbide (SiC) is widely used in the fabrication of high-temperature, high-frequency, and high-power devices due to its excellent […]Jianfei Zhang
- Effect of Natural Electric Field on Bioconjugation, Secondary Structure and Crystallization Mechanism of Peptide Composite with Gold Nanoparticles on Mica Surface Tháng mười một 25, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00948K, PaperAlexander Ivanovitch Loskutov, Ekaterina VolkovaAbstract. Establishing the mechanism of the influence of electric field on bioconjugation and crystallization of peptide (PT) composites with gold nanoparticles (NPs) on solid surfaces is of great scientific and...The content of this RSS Feed (c) The Royal Society of ChemistryAlexander Ivanovitch Loskutov
- Polymorphism in poly(vinylidene fluoride) nanoparticles prepared by a precipitation method: roles of the stirring rate, temperature and molecular weight Tháng mười một 24, 2025CrystEngComm, 2025, Advance ArticleDOI: 10.1039/D5CE00920K, PaperJiameng Liang, Ruihao Zheng, Haipeng Li, Wenpeng Zhao, Shaojuan Wang, Hao Zhang, Shouke YanPVDF nanoparticles are prepared by the precipitation method (2000 rpm, 0 °C, 180 kDa), achieving 74.6% β-phase and 88.1% electroactive phase content. Crystallinity increases with temperature and stirring rate but is less affected by molecular weight.To cite […]Jiameng Liang
- Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals Tháng mười một 24, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00980D, PaperJyoti Swarup Thakur, Omkar Dash, Nagesh A. Bhale, Pradip Kumar Mondal, Amol Gopalrao Dikundwar, Maurizio Polentarutti, Susanta K. NayakThe persuit for the discovery of the photo swichable materials is of great interest due to the growing demand for the smart stimuli responsive materials. Thereby, (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile derivatives, AZN-n (n...The content of […]Jyoti Swarup Thakur
- Prediction of the crystal structure of avadomide using machine learning potentials and crystal engineering Tháng mười một 24, 2025CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00849B, PaperFaezeh Bahrami, Alireza Salimi, Zahrasadat M Abardeh, Artem R. OganovToday, machine learning (ML) and crystal structure prediction (CSP) are principal tools in computational materials discovery.In this study, CSP of the pharmaceutical compound avadomide is presented, utilizing a workflow that...The content of this RSS Feed (c) The Royal Society of ChemistryFaezeh Bahrami
- New iodine-rich Group 15 iodometalates(III): self-assembly of metal halide anions and polyiodides into supramolecular architectures via I···I contacts Tháng mười một 28, 2025
