CrystEngComm最新文献

Expression of concern: Designing novel morphologies of l-cysteine surface capped 2D covellite (CuS) nanoplates to study the effect of CuS morphologies on dye degradation rate under visible light 表达关切：设计新型 l-半胱氨酸表面封端的二维腔沸石（CuS）纳米板形态，研究 CuS 形态对可见光下染料降解率的影响

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-09-27 DOI: 10.1039/D4CE90121E

Shahid Iqbal, Ali Bahadur, Shoaib Anwer, Muhammad Shoaib, Guocong Liu, Hao Li, Muhammad Raheel, Mohsin Javed and Bilal Khalid

引用次数: 0

Design and synthesis of two functional coordination polymers based on the 1,1′-bis(3-carboxybenzyl)-4,4′-bipyridinium ligand† 基于 1,1′-双（3-羧基苄基）-4,4′-联吡啶鎓配体†的两种功能配位聚合物的设计与合成

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-09-25 DOI: 10.1039/D4CE00732H

Jiali Chen, Yuying Fu, Qiaoyun Liu, Shoujie Shen and Jinjian Liu

{"title":"Design and synthesis of two functional coordination polymers based on the 1,1′-bis(3-carboxybenzyl)-4,4′-bipyridinium ligand†","authors":"Jiali Chen, Yuying Fu, Qiaoyun Liu, Shoujie Shen and Jinjian Liu","doi":"10.1039/D4CE00732H","DOIUrl":"https://doi.org/10.1039/D4CE00732H","url":null,"abstract":"Based on the viologen ligand 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium dichloride (H2BcbpyCl2) as the functional subject and two aromatic carboxylic acids (m-H2BDC = 1,3-benzenedicarboxylic acid and H4BTEC = 1,2,4,5-benzenetetracarboxylic acid) as auxiliary ligands, two Zn(II)-based coordination polymers, formulated as [Zn(Bcbpy)0.5(m-BDC)]n (1) and [Zn(Bcbpy)0.5(BTEC)0.5(H2O)]n (2), have been successfully prepared by solvothermal strategies. Compounds 1 and 2 both have a three-dimensional framework. The two compounds demonstrate reversible photochromic properties owing to the formation of viologen radicals via photoinduced electron transfer. In addition, the photomodulated fluorescence and ink-free erasable printing properties were also studied, which enriched the study of the photophysical properties of the crystals.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142397519","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

Elucidating metal–organic framework structures using synchrotron serial crystallography† 利用同步辐射串行晶体学阐明金属有机框架结构†。

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-09-20 DOI: 10.1039/D4CE00735B

Elke De Zitter, David Perl, Martin Savko, Daniel W. Paley, Alexander J. Thom, Damien Jeangerard, Aaron S. Brewster, Antoine Tissot, Christian Serre and William Shepard

{"title":"Elucidating metal–organic framework structures using synchrotron serial crystallography†","authors":"Elke De Zitter, David Perl, Martin Savko, Daniel W. Paley, Alexander J. Thom, Damien Jeangerard, Aaron S. Brewster, Antoine Tissot, Christian Serre and William Shepard","doi":"10.1039/D4CE00735B","DOIUrl":"https://doi.org/10.1039/D4CE00735B","url":null,"abstract":"Metal organic frameworks (MOFs) are porous crystalline materials that display a wide variety of physical and chemical properties. Their single crystal structure determination is often challenging because in most cases micro- or nano-sized crystals spontaneously form upon MOF synthesis, which cannot be recrystallized. The production of larger single crystals for structure determination involves optimizing, and thus modifying, the conditions of synthesis, in which success cannot be guaranteed. Failure to produce crystals suitable for single-crystal X-ray diffraction leaves the 3D structure of the MOF compound unknown, and scientists must resort to more challenging structure solution methods based on X-ray powder or electron diffraction data. These laborious tasks can be avoided by using serial crystallography techniques which merge data collected on many micro-crystals. Here, we report the application of three synchrotron serial crystallography methods. We call these “mesh”, “grid” and “mesh&collect” scans. “Still” images (no rotation) are collected in the mesh scan approach, whereas small rotational wedges are collected in the grid scan method. The third protocol, mesh&collect, combines the acquisition of still images and rotational wedges. Using these means, we determine the ab initio structure of benchmark MOFs, MIL-100(Fe) and ZIF-8, that differ largely in unit cell size. These methods are expected to be widely applicable and facilitate structure determination of many MOF microcrystalline systems.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ce/d4ce00735b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142397548","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

Enhanced thermoluminescence of sodium-doped lithium–magnesium fluorophosphate Li9Mg3[PO4]4F3† 钠掺杂氟磷酸锂镁 Li9Mg3[PO4]4F3† 的增强热致发光

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-09-19 DOI: 10.1039/D4CE00646A

D. A. Akulov, M. O. Kalinkin, A. Y. Chufarov, A. P. Tyutyunnik, M. A. Semkin, N. I. Medvedeva, N. A. Zhuravlev, R. M. Abashev, A. I. Surdo and D. G. Kellerman

{"title":"Enhanced thermoluminescence of sodium-doped lithium–magnesium fluorophosphate Li9Mg3[PO4]4F3†","authors":"D. A. Akulov, M. O. Kalinkin, A. Y. Chufarov, A. P. Tyutyunnik, M. A. Semkin, N. I. Medvedeva, N. A. Zhuravlev, R. M. Abashev, A. I. Surdo and D. G. Kellerman","doi":"10.1039/D4CE00646A","DOIUrl":"https://doi.org/10.1039/D4CE00646A","url":null,"abstract":"Lithium–magnesium fluorophosphate with the formula Li9Mg3[PO4]4F3 has recently been proposed as a new thermoluminescent material capable of storing ionizing radiation energy and emitting photons after additional thermal stimulation. Pure and sodium-doped fluorophosphates were obtained by microwave-assisted synthesis. Using X-ray and neutron diffraction methods, it was shown that sodium occupies only one of the three nonequivalent lithium positions. This conclusion was confirmed by a MAS NMR study and ab initio calculations. A significant increase in the thermoluminescence intensity of sodium-containing fluorophosphates in comparison to the undoped compound was found. Analysis of the kinetic parameters obtained from glow curves showed that they are similar for the undoped and sodium-doped samples. This indicates that the addition of sodium does not result in the emergence of novel types of traps, but rather in a change in their number. The effect of sodium on the formation of intrinsic defects, which can be responsible for the enhanced thermoluminescence, is considered using ab initio modelling.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142397547","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

Size-unlimited sapphire single-crystal fiber growth and the anisotropic & size-dependent mechanical and thermometry performance 尺寸不受限制的蓝宝石单晶纤维生长以及各向异性和尺寸相关的机械和热测量性能

IF 3.1 3区化学

CrystEngComm Pub Date : 2024-09-19 DOI: 10.1039/d4ce00719k

Tao Wang, Qi Guo, Jian Zhang, Liang Zhang, Kaihui Zhang, Xin Guan, Na Lin, Yongsen Yu, Zhitai Jia, Xutang Tao

{"title":"Size-unlimited sapphire single-crystal fiber growth and the anisotropic & size-dependent mechanical and thermometry performance","authors":"Tao Wang, Qi Guo, Jian Zhang, Liang Zhang, Kaihui Zhang, Xin Guan, Na Lin, Yongsen Yu, Zhitai Jia, Xutang Tao","doi":"10.1039/d4ce00719k","DOIUrl":"https://doi.org/10.1039/d4ce00719k","url":null,"abstract":"Sapphire fiber is becoming a research hotspot for high-temperature sensing in extreme environments due to its high melting point, wide transmission band and superior thermal stability. Nevertheless, the preparation of high-quality, few-mode, large-length sapphire fibers is still a major challenge for further application. Here, we have successfully fabricated high-quality sapphire fibers with a minimum diameter of ~16 μm and a maximum length of more than 50 m using a state-of-the-art laser-heated pedestal growth system, which, to the best of our knowledge, is the size record for single-crystal fibers. Besides, the anisotropic growth behavior and mechanical properties were investigated in detail, demonstrating that c-oriented sapphire fiber presents higher high-temperature tensile strength and superior creep resistance compared with a- and m-oriented sapphire fibers. Further reasearch demonstrates that the tensile strength increases dramatically with decreasing diameter, with the 30 μm-diameter sapphire fibers achieved a tensile strength of more than 8000 MPa and a maximum strain over 20000 μɛ, both of which are more than twice that of conventional sapphire fibers. Furthermore, a fiber Bragg grating was fabricated within a 30 μm-diameter sapphire fiber for the first time by the femtosecond laser line-by-line scanning method, exhibiting few-mode and stable spectral response in the range of 20-1600℃ with a maximum sensitivity of 40.45 pm/℃ at 1600℃. This work provides a feasible approach for the preparation of sapphire fibers without size limitation, and demonstrate a huge potential of ultra-fine sapphire fibers for applications in a harsh environment temperature and strain sensing","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142263084","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

Reactive molecular dynamics simulations on the hotspot formation and pyrolysis mechanisms of TNBI/TANPDO cocrystal: Effects of defects with different nano-void sizes TNBI/TANPDO 共晶体热点形成与热解机理的反应分子动力学模拟：不同纳米空洞尺寸缺陷的影响

IF 3.1 3区化学

CrystEngComm Pub Date : 2024-09-19 DOI: 10.1039/d4ce00799a

Zijian Sun, Jincheng Ji, Weihua Zhu

引用次数: 0

Desensitization of spherical CL-20 composites by embedding insensitive nanosized energetic crystals† 通过嵌入不敏感的纳米级高能晶体对球形 CL-20 复合材料进行脱敏处理

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-09-19 DOI: 10.1039/D4CE00833B

Zhi-Hua Xue, Ruixuan Xu, Jianheng Qin, Zikangping Wang, Yu Liu and Qi-Long Yan

{"title":"Desensitization of spherical CL-20 composites by embedding insensitive nanosized energetic crystals†","authors":"Zhi-Hua Xue, Ruixuan Xu, Jianheng Qin, Zikangping Wang, Yu Liu and Qi-Long Yan","doi":"10.1039/D4CE00833B","DOIUrl":"10.1039/D4CE00833B","url":null,"abstract":"The development of spherical CL-20-based co-particles, which incorporate nanosized nLLM-105@PDA and nFOX-7@PDA crystals at different ratios (1%, 5%, and 10%), has been achieved using a spray drying technique. This innovative approach results in solid spherical co-particles where the nanosized inclusions are tightly integrated in CL-20 based composite crystals, where the outer shell is primarily composed of CL-20. Scanning electron microscopy (SEM) confirms the structural integrity of these co-particles, and nano-computed tomography further elucidates the intricate interfacial structure. Differential scanning calorimetry (DSC) and thermogravimetric (TG) analyses reveal that these co-particles undergo a single-step decomposition process, akin to their energetic co-crystals. This behavior is indicative of a unified and predictable thermal response. Molecular dynamics (MD) simulations, employing a reactive forcefield, have been conducted to track their thermal decomposition products. Although the CL-20 polymorph in both co-LLM-105P/CL-20 and co-LLM-105P/CL-20 co-particles is in the β-phase, their impact initiation energy is approximately 4 to 6 times higher than that of raw ε-CL-20. Moreover, the co-particle formulation does not adversely affect the velocity of detonation (VoD) and detonation pressure (PC–J), showing that the energy density is preserved.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142263085","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

Impurity retention and pharmaceutical solid solutions: visualizing the effect of impurities on dissolution and growth using dyed crystals† 杂质滞留与药物固体溶液：利用染色晶体观察杂质对溶解和生长的影响

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-09-18 DOI: 10.1039/D4CE00742E

Anne Nong, Claire Schleper, Abigail Martin, Mitchell Paolello, Fredrik L. Nordstrom and Gerard Capellades

{"title":"Impurity retention and pharmaceutical solid solutions: visualizing the effect of impurities on dissolution and growth using dyed crystals†","authors":"Anne Nong, Claire Schleper, Abigail Martin, Mitchell Paolello, Fredrik L. Nordstrom and Gerard Capellades","doi":"10.1039/D4CE00742E","DOIUrl":"10.1039/D4CE00742E","url":null,"abstract":"Pharmaceutical solid solutions are gaining increased interest as alternatives to salts and co-crystals for the enhancement of drug solubility and dissolution kinetics. Industrially, they are also responsible for the entrapment of potentially toxic impurities in drug substances. The accidental incorporation of process impurities into the lattice of a growing crystal, or the intentional incorporation of an additive, can vastly alter the product's properties. Reported effects include solubility enhancements, changes in melting point, shifting polymorph stabilities, growth inhibition, and change in crystal habit, among others. This work combines the fields of impurity rejection, solid solutions, and dyeing crystals, to provide visual evidence of those effects, and to further demonstrate how impure regions in a single crystal can present vastly different behaviors to the purified regions of the same crystal. The work revolves around four model host–guest pairs, two of them previously unreported. These include mixed crystals of acetaminophen with curcumin, sulforhodamine B, and acid fuchsin, as well as potassium sulfate dyed with acid fuchsin. Results challenge common assumptions in the study of multicomponent crystals, demonstrating how neglecting composition anisotropy may lead to misdiagnosing solid solutions as surface adsorbed impurities in impurity retention diagnostics, and how neglecting the habit-modifying effects of dissolved impurities may lead to the use of erroneous models for growth inhibition. At the same time, we present opportunities for the development of novel impurity rejection and crystal engineering strategies, aiding the growth of anisotropic crystals with properties that can be fine-tuned in continuum.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ce/d4ce00742e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142263089","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

Metal–organic framework-derived materials for enhanced performance of aqueous zinc ion batteries: a mini review 用于提高锌离子水电池性能的金属有机框架衍生材料：小型综述

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-09-18 DOI: 10.1039/D4CE00774C

Junjie Yang, Xingxing Gu, Chenxuan Xu, Jun Li, Binbin Wen, Linjun Si, Weifeng Shen, Kai Chen, Xiaoke Zhang, Yiqing Liu, Xiaoming Lin, Yongbo Wu and Huachao Yang

引用次数: 0

Stable Au-Ag nanoframes based on Au nanorods: Construction and plasmon enhanced catalytic performance 基于金纳米棒的稳定金银纳米框架：构建和等离子体增强催化性能

IF 3.1 3区化学

CrystEngComm Pub Date : 2024-09-18 DOI: 10.1039/d4ce00716f

Caixia Kan, Ying Li, Yuhao Zhang, Juan Xu, Zhaosheng Li, Daning Shi

{"title":"Stable Au-Ag nanoframes based on Au nanorods: Construction and plasmon enhanced catalytic performance","authors":"Caixia Kan, Ying Li, Yuhao Zhang, Juan Xu, Zhaosheng Li, Daning Shi","doi":"10.1039/d4ce00716f","DOIUrl":"https://doi.org/10.1039/d4ce00716f","url":null,"abstract":"Nobel metal nanostructures have been widely studied and concerned due to their excellent surface plasmon resonance (SPR) effects. In order to regulate their SPR properties and applications, it is critical to accurately control the morphology and composition of noble metal nanostructures. Gold nanorods (Au NRs) are become one of the research hotpots because of their anisotropic shape and tunable plasmonic properties. By designing various heterostructures and assemblies composed of Au NRs, improvement on the SPR effects and further applications can be achieved. In this paper, the Au NR @ Au-Ag nanoframes were prepared based on Au NRs by sacrificial template method. The combination of metal nanostructures and open nanostructures not only maintains the characteristics of each component, but also shows the synergistic effect, enhancing the performance of the composite nanostructures. The experimental results showed that the nanostructures exhibit tunable SPR properties, excellent structural stability and good catalytic activity. Furthermore, the plasmon-induced electromagnetic field enhancement effect greatly enhanced the catalytic activity of the nanostructures. This work provides new ideas and approaches for the design and development of highly active nanocatalysts.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142263095","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