CrystEngComm最新文献_第2页

Crystal engineering of p-sulfocinnamic acid into mononuclear cationic Fe(ii), Co(ii) and Fe(iii) complexes 对氨基磺酸单核阳离子Fe（ii）、Co（ii）和Fe（iii）配合物的晶体工程研究

IF 2.6 3区化学

CrystEngComm Pub Date : 2026-05-29 DOI: 10.1039/D6CE00068A

Xiaochun Li, Joanne W. L. Wong, Mengmeng Wang, Youssef Draoui, Mariusz Wolff, Koen Robeyns, Aurelian Rotaru and Yann Garcia

{"title":"Crystal engineering of p-sulfocinnamic acid into mononuclear cationic Fe(ii), Co(ii) and Fe(iii) complexes","authors":"Xiaochun Li, Joanne W. L. Wong, Mengmeng Wang, Youssef Draoui, Mariusz Wolff, Koen Robeyns, Aurelian Rotaru and Yann Garcia","doi":"10.1039/D6CE00068A","DOIUrl":"https://doi.org/10.1039/D6CE00068A","url":null,"abstract":"In this work, we report the synthesis of two new Co(II) metal salts [Co(H2O)6](Hpsca)2·nH2O (n = 2, 4) incorporating a p-sulfocinnamic acid counter anion (Hpsca−). Together with the previously reported iron(II) analogue [Fe(H2O)6](Hpsca)2·2H2O, these precursors were utilized to synthesize four new coordination complexes [M(bipy)3](Hpsca)2·2MeOH (M = Fe (1), Co (2), bipy = 2,2′-bipyridine), [Fe(1-bpp)(Hpsca)(H2O)(MeOH)]Hpsca·MeOH (3, 1-bpp = 2,6-di(1-pyrazolyl)pyridine) and [Fe(3,2,3-sal2tet)]Hpsca·H2O (4), 3,2,3-sal2tet = 2,2′-((1Z,13Z)-2,6,9,13-tetraazatetradeca-1,13-diene-1,14-diyl) diphenol. Single crystal X-ray diffraction analyses revealed that all complexes consist of discrete mononuclear cationic units, while the Hpsca− anion forms different supramolecular arrangements. 57Fe Mössbauer spectroscopy confirms the low-spin state for Fe(II) ions in 1 and Fe(III) ions in 4, in accordance with crystallographic results. This work highlights the versatility of the Hpsca− counteranion to stabilize diverse crystal architectures as well as its ability to couple solid-state reactivity and spin state modulation, thanks to the potential anion-driven light induced spin change based on the solid state [2 + 2] photodimerization of Hpsca−.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 22","pages":" 3449-3457"},"PeriodicalIF":2.6,"publicationDate":"2026-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148193717","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Second-harmonic generation in two hybrid organic–inorganic metal chlorides based on l-thioproline ligand 基于l-硫脯氨酸配体的两种杂化有机-无机金属氯化物的二次谐波生成

IF 2.6 3区化学

CrystEngComm Pub Date : 2026-05-29 DOI: 10.1039/D6CE00330C

Yingjie Wang, Peiqi Qian, Xuemei Wen, Hongmei Zeng, Guohong Zou and Zhien Lin

引用次数: 0

Positional isomerism and short hydrogen bonds govern photochromic behaviour in dipyridyl-NDI⋯formic acid co-crystals. 位置异构体和短氢键支配着二吡啶- ndi甲酸共晶体的光致变色行为。

IF 2.4 3区化学

CrystEngComm Pub Date : 2026-05-29 eCollection Date: 2026-07-13 DOI: 10.1039/d6ce00262e

Adnan Ishaq, Louise Male, Neil R Champness

引用次数: 0

Study on the crystallization of ammonium sulfate in the presence of additives 添加剂存在下硫酸铵结晶的研究

IF 2.4 3区化学

CrystEngComm Pub Date : 2026-05-28 DOI: 10.1039/D6CE00332J

Peng Zhang, Kunpeng Jia, Shuting Liu, Yanxiao Li, Xiaoxiao Han, Boran Yang and Baozeng Ren

{"title":"Study on the crystallization of ammonium sulfate in the presence of additives","authors":"Peng Zhang, Kunpeng Jia, Shuting Liu, Yanxiao Li, Xiaoxiao Han, Boran Yang and Baozeng Ren","doi":"10.1039/D6CE00332J","DOIUrl":"https://doi.org/10.1039/D6CE00332J","url":null,"abstract":"Large-particle ammonium sulfate crystals possess higher commercial value due to their superior physicochemical properties; however, their industrial-scale production remains challenging. Initially, the effects of various operational factors on the crystal size distribution (CSD) of ammonium sulfate in an additive-free system were systematically investigated, and the basic process parameters were determined. Subsequently, two optimized crystallization processes were developed by incorporating composite additives. The results show that the two target systems (constant-rate and deceleration processes) significantly enhance the yield of large crystals, increasing the mass fraction of particles ≥2.0 mm to above 27.00%, compared to less than 5.00% in the conventional process. Crystallinity is also improved from 80.06% in the conventional system to over 87.00%, with a further reduction in crystal aspect ratio. Further crystallization thermodynamics and nucleation kinetics analyses revealed the action mechanism of additives: the additives increase the solid–liquid interfacial energy and widen the metastable zone width (MSZW) of the solution, which inhibits nucleation and promotes crystal growth, thereby providing favorable kinetics for the formation of larger crystals. Moreover, the additives help guide solute deposition in a more ordered manner into the crystal lattice, thus increasing crystallinity. Additionally, the adsorption of additives at active sites on crystal surfaces modifies the relative growth rates of different crystal faces, leading to regulated crystal morphology.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 25","pages":" 3843-3864"},"PeriodicalIF":2.4,"publicationDate":"2026-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148336604","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Boosting oxygen evolution activity via Cr-induced electronic and structural modulation in NiFe-LDH nanosheets 通过cr诱导的电子和结构调制提高NiFe-LDH纳米片的析氧活性

IF 2.4 3区化学

CrystEngComm Pub Date : 2026-05-27 DOI: 10.1039/D6CE00303F

Yinfeng Wang, Yuhao Zhou, Xuan Zhao, Yangchun Guo, Zhenhong He, Shufang Ma, Bingshe Xu and Xiaodong Hao

{"title":"Boosting oxygen evolution activity via Cr-induced electronic and structural modulation in NiFe-LDH nanosheets","authors":"Yinfeng Wang, Yuhao Zhou, Xuan Zhao, Yangchun Guo, Zhenhong He, Shufang Ma, Bingshe Xu and Xiaodong Hao","doi":"10.1039/D6CE00303F","DOIUrl":"https://doi.org/10.1039/D6CE00303F","url":null,"abstract":"In this study, a series of NiFeCr layered double hydroxide (NiFeCr-LDH) materials with sheet-like morphology and different electronic structure distributions were synthesized via a facile one-step hydrothermal method by adjusting the elemental ratios. As a reliable and stable electrocatalyst, this trimetallic material exhibits prominent advantages in enhancing the kinetics of the oxygen evolution reaction (OER). Under identical catalyst loading, the NiFeCr-3 sample with an Fe : Cr molar ratio of 5 : 3 demonstrated the optimal electrocatalytic performance. This improvement was primarily attributed to the formation of highly active NiOOH species during the catalytic process, while the abundant charge-transfer pathways and variable ionic valence states further contributed to its intrinsic OER activity. In alkaline electrolyte tests, the overpotentials required to achieve current densities of 50 mA cm−2 and 100 mA cm−2 were only 287 mV and 331 mV, respectively, with a Tafel slope of 86.5 mV dec−1. Furthermore, the catalyst exhibited excellent long-term stability, maintaining its activity for over 100 hours at a current density of 20 mA cm−2. Electrochemical measurements and X-ray photoelectron spectroscopy analysis collectively confirmed the synergistic effects among the metal centers in NiFeCr-LDHs. Its catalytic activity was significantly higher than that of NiFe-LDH, indicating the potential of this work for developing high-performance water–alkali electrocatalysts.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 24","pages":" 3733-3742"},"PeriodicalIF":2.4,"publicationDate":"2026-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148285376","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Numerical investigation of temperature field and thermal stress of β-Ga2O3 crystal by dual heat source coupled laser floating zone method 双热源耦合激光浮区法对β-Ga2O3晶体温度场和热应力的数值研究

IF 2.6 3区化学

CrystEngComm Pub Date : 2026-05-26 DOI: 10.1039/D6CE00139D

Yihao Liu, Xiaofang Qi, Wencheng Ma, Yongkuan Xu and Zhanggui Hu

{"title":"Numerical investigation of temperature field and thermal stress of β-Ga2O3 crystal by dual heat source coupled laser floating zone method","authors":"Yihao Liu, Xiaofang Qi, Wencheng Ma, Yongkuan Xu and Zhanggui Hu","doi":"10.1039/D6CE00139D","DOIUrl":"https://doi.org/10.1039/D6CE00139D","url":null,"abstract":"This study introduces a dual-heater-coupled laser floating zone (DHC-LFZ) system to overcome the severe thermal stress and cracking that plague the growth of β-Ga2O3 single crystals via traditional LFZ methods (T-LFZ). The key innovation lies in the integration of auxiliary resistance heaters into the T-LFZ configuration, which allows for active management of the thermal gradient. A multi-physics finite element model, incorporating coupled phenomena of heat flow, melt convection, interface evolution, radiation, and stress, was established. The results demonstrate that with the introduction of the optimized auxiliary heat source, the DHC-LFZ system effectively stabilizes the melt–crystal interface, achieving reductions of 46% and 50.5% in the axial and radial temperature gradients, respectively. Consequently, the maximum axial and radial thermal stresses are curtailed by 49.4% and 58.9%, providing a significantly improved crystallization environment. Our work clarifies the underlying mechanisms linking thermal field control to crystal quality and offers a viable path toward the low-stress growth of large-sized β-Ga2O3 crystals.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 23","pages":" 3679-3692"},"PeriodicalIF":2.6,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148247602","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Salt-dependent switching of crystal packing in cucurbituril–antidepressant crystals 葫芦比妥-抗抑郁药晶体中晶体包装的盐依赖开关

IF 2.6 3区化学

CrystEngComm Pub Date : 2026-05-26 DOI: 10.1039/D6CE00242K

Natasza Jakubik, Ewelina Zaorska and Maura Malinska

引用次数: 0

Thermochromism and X-ray detection capabilities of a hybrid double metal halide perovskite (C₃H₁₂N₂)₂AgBiBr₈. 杂化双金属卤化物钙钛矿（C3H12N2）2AgBiBr8的热致变色和x射线探测能力。

IF 2.4 3区化学

CrystEngComm Pub Date : 2026-05-26 eCollection Date: 2026-07-13 DOI: 10.1039/d6ce00175k

Kanika Parashar, Tamanna Pinky, Nobuyuki Yamamoto, S A Keishana Navodye, G T Kasun Kalhara Gunasooriya, Mark D Smith, Bayram Saparov

{"title":"Thermochromism and X-ray detection capabilities of a hybrid double metal halide perovskite (C3H12N2)2AgBiBr8.","authors":"Kanika Parashar, Tamanna Pinky, Nobuyuki Yamamoto, S A Keishana Navodye, G T Kasun Kalhara Gunasooriya, Mark D Smith, Bayram Saparov","doi":"10.1039/d6ce00175k","DOIUrl":"10.1039/d6ce00175k","url":null,"abstract":"Two-dimensional (2D) layered hybrid double metal halide perovskites have recently gained significant attention as lead-free and environmentally benign alternatives to lead halide perovskites. In this study, we report the photophysical properties of a 2D Dion-Jacobson (DJ) type hybrid double perovskite, (C3H12N2)2AgBiBr8, which exhibits both reversible thermochromism and promising X-ray radiation detection capabilities. This material shows transition from a low-temperature monoclinic P21/n phase to a high-temperature monoclinic C2/m phase at 121.83 °C along with a color change from yellow to bright orange. The phase transition is reversible and both single crystals and bulk powder samples of (C3H12N2)2AgBiBr8 remain stable for more than 30 heating-cooling cycles. Optical property characterization shows that (C3H12N2)2AgBiBr8 is a semiconductor with an indirect band gap of 2.42 eV. The material demonstrates a semiconductor resistivity of 2.8 × 1010 Ω cm, lower than those of other reported DJ-type hybrid double perovskites, and also shows response towards soft X-rays (8 keV) with a detector sensitivity of 188.52 μCGy-1 cm-2. These properties along with a very high signal-to-noise ratio (SNR) value (111.45) indicate the potential of (C3H12N2)2AgBiBr8 for direct radiation detection.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" ","pages":"4150-4158"},"PeriodicalIF":2.4,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13255101/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148248187","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Solvent-induced structural and optical transformations in a hybrid copper phosphate framework 杂化磷酸铜骨架中溶剂诱导的结构和光学转变。

IF 2.4 3区化学

CrystEngComm Pub Date : 2026-05-25 DOI: 10.1039/D6CE00295A

Isis P. Carmona-Sepúlveda, Adelaide R. Kerenick and Julie L. Fenton

{"title":"Solvent-induced structural and optical transformations in a hybrid copper phosphate framework","authors":"Isis P. Carmona-Sepúlveda, Adelaide R. Kerenick and Julie L. Fenton","doi":"10.1039/D6CE00295A","DOIUrl":"10.1039/D6CE00295A","url":null,"abstract":"Crystalline materials that undergo coupled structural and optical transformations in response to external stimuli are of broad interest in solid-state chemistry. Here, we report a crystalline hybrid copper phosphate, Cu4(4,4′-bipy)4(H2PO4)4·6H2O, that exhibits solvent-programmable structural and optical switching driven by dehydration and methanol uptake. The material crystallizes with undercoordinated Cu(I) centers in a porous framework stabilized by π–π stacking and hydrogen bonding. Upon heating, dehydration induces a reversible color change from yellow to deep red, accompanied by a crystallographic transformation from a low-symmetry triclinic phase to a higher-symmetry monoclinic phase with distorted tetrahedral Cu coordination. Variable temperature X-ray diffraction and UV-vis spectroscopy correlate this transformation with a red-shift in the metal-to-ligand charge transfer (MLCT) band. Exposing the dehydrated phase to dry methanol drives a different symmetry-breaking crystallographic transformation, in which ordered, directional methanol-framework interactions stabilize trigonal planar Cu(I) centers and produce a distinct cyan color. Together, these results demonstrate how solvent identity, hydrogen bonding directionality, and coordination geometry can be crystallographically coupled to achieve multiple optical responses and switching in a single hybrid phosphate material. This work establishes hybrid phosphate frameworks as a platform for post-synthetic structural and optical switching, accessing crystalline phases that are unreachable through traditional synthetic routes.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 24","pages":" 3785-3796"},"PeriodicalIF":2.4,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13220123/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148136174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The effect of vortex suppression on the large-scale epitaxial growth of unidirectional MoS2 涡旋抑制对单向mos2大规模外延生长的影响

IF 2.4 3区化学

CrystEngComm Pub Date : 2026-05-25 DOI: 10.1039/D6CE00326E

Zhaofang Cheng, Kelun Deng, Lina Chen, Shijun Duan, Shaodan He, Xudong Zhang, Zipeng Wu and Minggang Xia

{"title":"The effect of vortex suppression on the large-scale epitaxial growth of unidirectional MoS2","authors":"Zhaofang Cheng, Kelun Deng, Lina Chen, Shijun Duan, Shaodan He, Xudong Zhang, Zipeng Wu and Minggang Xia","doi":"10.1039/D6CE00326E","DOIUrl":"https://doi.org/10.1039/D6CE00326E","url":null,"abstract":"The scalable synthesis of high-quality, single-crystalline two-dimensional molybdenum disulfide (MoS2) by chemical vapor deposition (CVD) is primarily hindered by inhomogeneous precursor delivery and non-uniform nucleation. While the “face-to-face” configuration improves precursor uniformity, its scalability to wafer-scale is limited by vortex formation. Herein, we introduce an open-ended boat design that fundamentally eliminates vortex and establishes a stable gas flow over the 1.5-inch sapphire substrate. Through full-reactor computational fluid dynamics (CFD) simulations and experimental validation, we precisely identify and resolve the vortex issue, demonstrating that our design ensures a uniform and sufficient supply of both Mo and S precursors across the entire substrate. This optimized flow environment not only facilitates epitaxial alignment via step-edge guidance on sapphire but also enables the expansion of large, well-oriented domains. As a result, highly uniform, unidirectional MoS2 quasi-single-crystals were achieved on 1.5-inch wafer-scale sapphire substrates. This study elucidates the crucial role of fluid dynamics in 2D material growth, effectively addressing the scalability challenge in conventional CVD processes.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 25","pages":" 3865-3873"},"PeriodicalIF":2.4,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148336610","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0