CrystEngComm最新文献_第2页

Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange† 由大环与焦二酰二亚胺和萘衍生物构建的共晶：通过溶剂交换将二元共晶溶剂化物转化为溶剂化物†

IF 2.6 3区化学

CrystEngComm Pub Date : 2025-07-10 DOI: 10.1039/D5CE00462D

Masahide Tominaga, Ryusei Kamada, Tadashi Hyodo and Kentaro Yamaguchi

引用次数: 0

Chiral selectivity in lithium niobate crystals: investigating the role of l- and d-alanine as chiral inducers† 铌酸锂晶体的手性选择性：研究l-丙氨酸和d-丙氨酸作为手性诱导剂的作用

IF 2.6 3区化学

CrystEngComm Pub Date : 2025-07-10 DOI: 10.1039/D5CE00522A

Matan Oliel and Yitzhak Mastai

{"title":"Chiral selectivity in lithium niobate crystals: investigating the role of l- and d-alanine as chiral inducers†","authors":"Matan Oliel and Yitzhak Mastai","doi":"10.1039/D5CE00522A","DOIUrl":"https://doi.org/10.1039/D5CE00522A","url":null,"abstract":"Lithium niobate is an achiral crystal that intriguingly exhibits chiral selectivity, as well as properties typically associated with chiral crystals such as nonlinear polarization and piezoelectricity. Here, we explore L-alanine and D-alanine as chiral inducers during the hydrothermal synthesis of LiNbO3 nanocrystals. Structural and morphological analyses using X-ray diffraction, Fourier-transform infrared spectroscopy, high-resolution scanning electron microscopy, and transmission electron microscopy reveal clear differences between pristine and induced crystals. Low-frequency Raman and circular dichroism spectroscopy, high-performance liquid chromatography, and isothermal titration calorimetry were employed to investigate the chirality and enantiomeric selectivity. L-Ala-induced LiNbO3 crystals preferentially adsorbed L-enantiomers, while D-Ala-induced crystals favored D-enantiomers. This study sheds light on the mechanisms of chiral induction in inorganic crystals, highlighting the potential of LiNbO3 for chiral sensing, enantioselective catalysis and biomolecular recognition.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 31","pages":" 5337-5345"},"PeriodicalIF":2.6,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ce/d5ce00522a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144773352","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

A simple low-temperature synthesis of fluorescent boron quantum dots for versatile applications† 一个简单的低温合成荧光硼量子点的多功能应用†

IF 2.6 3区化学

CrystEngComm Pub Date : 2025-07-10 DOI: 10.1039/D5CE00616C

Shutao Li, Pengyi Ma, Jinping Song, Xiaoting Guo, Jianhua Xue and Qi Ma

{"title":"A simple low-temperature synthesis of fluorescent boron quantum dots for versatile applications†","authors":"Shutao Li, Pengyi Ma, Jinping Song, Xiaoting Guo, Jianhua Xue and Qi Ma","doi":"10.1039/D5CE00616C","DOIUrl":"https://doi.org/10.1039/D5CE00616C","url":null,"abstract":"It is the first time to report the synthesis of small-molecule passivated boron quantum dots (BQDs) through a bottom-up strategy using L-cysteine (L-Cys) as a passivation agent and ammonium pentaborate tetrahydrate and boric acid as boron sources under a low reaction temperature of 100 °C. The morphology and surface structure of the prepared BQDs were characterized in detail using high-resolution transmission electron microscopy, X-ray photoelectron spectroscopy, Fourier-transform infrared spectroscopy, and X-ray diffraction. The as-obtained BQDs emitted blue fluorescence with a quantum yield of 1.14%, and the particle sizes are mainly distributed between 1.5 nm and 3.5 nm. Stability research results demonstrated that BQDs possess high stability performance. The findings revealed that BQDs could be used as a fluorescence nanoprobe for developing a fluorescence “turn-off/turn-on” sensing platform to detect the drug molecule sulfasalazine (SSZ) and Pb2+. The proposed sensor indicates high sensitivity and selectivity towards SSZ, and the linear response range is 1–100 μmol L−1 with a detection limit of 0.9 μmol L−1. The quenched fluorescence could be recovered by Pb2+ in the range of 40–180 μmol L−1 with a detection limit of 39.7 μmol L−1. The proposed “turn off-turn on” sensor gives satisfactory results for practical sample analysis. Meanwhile, the thermodynamic data were estimated, and the corresponding quenching mechanisms were also discussed in detail. Moreover, BQDs had low cytotoxicity, which presented a potential application in cell imaging. They can also be used in the construction of LED and fluorescent film.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 30","pages":" 5152-5161"},"PeriodicalIF":2.6,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144714645","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

Retraction: The behavior of Ni nanotubes under the influence of environments with different acidities 缩回：镍纳米管在不同酸度环境影响下的行为

IF 2.6 3区化学

CrystEngComm Pub Date : 2025-07-10 DOI: 10.1039/D5CE90099A

Maksim D. Kutuzau, Egor Yu. Kaniukov, Elena E. Shumskaya, Victoria D. Bundyukova, Gulnar R. Kalkabay, Maxim V. Zdorovets, Daryn B. Borgekov and Artem L. Kozlovskiy

引用次数: 0

Hierarchy and cooperativity between π-type halogen bonds and aromatic carboxylic acid dimers in co-crystal formation† 共晶形成中π型卤素键与芳香族羧酸二聚体的层次性与协同性

IF 2.6 3区化学

CrystEngComm Pub Date : 2025-07-04 DOI: 10.1039/D5CE00551E

Emmett H. Feld, Eric Bosch, Daniel K. Unruh, Herman R. Krueger and Ryan H. Groeneman

引用次数: 0

The concept of ‘color’ topological type: classification and modeling of intermetallic compounds† “颜色”拓扑类型的概念：金属间化合物的分类和建模

IF 2.6 3区化学

CrystEngComm Pub Date : 2025-07-04 DOI: 10.1039/D5CE00590F

Polina D. Martynova, Olga A. Blatova and Vladislav A. Blatov

{"title":"The concept of ‘color’ topological type: classification and modeling of intermetallic compounds†","authors":"Polina D. Martynova, Olga A. Blatova and Vladislav A. Blatov","doi":"10.1039/D5CE00590F","DOIUrl":"https://doi.org/10.1039/D5CE00590F","url":null,"abstract":"In this paper, we extend the topological representation of crystal structures by introducing the concept of a ‘color’ topological type. In contrast to ‘grey’ topology, which disregards differences in the chemical types of atoms, the ‘color’ topological type accounts for the chemical composition of the atomic environment. This approach, implemented in the program package ToposPro, enables the selection of groups of structures with the same connectivity of atoms of a particular nature. To evaluate the efficiency of the proposed approach, we analyzed 5926 intermetallic compounds described by 11 ‘grey’ topologies and identified all corresponding ‘color’ topological types. We showed, using several examples, that the approach allows the identification of differences in atomic motifs in polymorphic modifications as well as in various compounds with the same stoichiometric composition. Furthermore, the approach reveals differences in the local atomic environment within a given coordination shell. We also explore the potential applications of the proposed approach for modeling structural disorder in multicomponent systems including high-entropy alloys. By determining topologically non-equivalent atomic nets, we were able to significantly reduce the number of configurations to be considered in the modeling of disordered structures using DFT methods.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 31","pages":" 5304-5311"},"PeriodicalIF":2.6,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144773348","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

Co0.4Fe1.6P electrocatalysts through Mo ion doping strategies for stable alkaline water splitting Co0.4Fe1.6P电催化剂通过Mo离子掺杂策略实现碱水的稳定裂解

IF 2.6 3区化学

CrystEngComm Pub Date : 2025-07-04 DOI: 10.1039/D5CE00608B

Shengke Tang, Ding Li and Xiang Wu

引用次数: 0

A DSC study of the non-isothermal cold crystallization and relaxation effects in ubiquinone and ubiquinol† 泛醌和泛醇†的非等温冷结晶和弛豫效应的DSC研究

IF 2.6 3区化学

CrystEngComm Pub Date : 2025-07-03 DOI: 10.1039/D5CE00368G

Rafael Barbas, Lídia Bofill, Dafne de Sande and Rafel Prohens

引用次数: 0

Constructing insensitive heat-resistant energetic materials via hydrazo bridge mediated resonance-assisted hydrogen bonds† 利用偶联桥介导的共振辅助氢键构建不敏感耐热含能材料

IF 2.6 3区化学

CrystEngComm Pub Date : 2025-07-01 DOI: 10.1039/D5CE00494B

Xing Zhang, Linhu Pan, Min Li, Jianquan Jing, Honglei Xia and Qinghua Zhang

{"title":"Constructing insensitive heat-resistant energetic materials via hydrazo bridge mediated resonance-assisted hydrogen bonds†","authors":"Xing Zhang, Linhu Pan, Min Li, Jianquan Jing, Honglei Xia and Qinghua Zhang","doi":"10.1039/D5CE00494B","DOIUrl":"https://doi.org/10.1039/D5CE00494B","url":null,"abstract":"Constructing heat-resistant explosives (Td > 350 °C) has become an important direction in the field of energetic materials. Herein, a new heat-resistant energetic compound, 6,6′-(hydrazine-1,2-diyl)bis(8-nitro-[1,2,4]triazolo[4,3-b]pyridazine-3,7-diamine), namely HDP, was designed and synthesized based on the combined strategies of the hydrazo bridge and resonance-assisted hydrogen bonds (RAHBs). HDP exhibits a striking peak thermal decomposition temperature (Td = 374.6 °C), which is more outstanding than that of the recently reported hydrazo bridge heat-resistant molecules and even higher than that of the widely used heat-resistant explosives HNS (Td = 349 °C), TATB (Td = 360 °C), and PYX (Td = 377 °C). Moreover, HDP exhibits good mechanical sensitivities (IS = 40 J, FS = 360 N). Theoretical calculations reveal that stronger RAHBs are conducive to the high planarity of molecules and strong interactions in crystals. These findings indicate that the hydrazo bridge mediated RAHBs are an effective strategy to enhance thermal stability and to reduce sensitivity.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 29","pages":" 5021-5029"},"PeriodicalIF":2.6,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144671913","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

H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures† 作为同构OH， OC氢键二聚体结构†的例子，在双酮仲醇中的H/F置换

IF 2.6 3区化学

CrystEngComm Pub Date : 2025-06-30 DOI: 10.1039/D5CE00492F

Florea Dumitrascu, Marcel Mirel Popa, Sergiu Shova, Isabela C. Man, Constantin Draghici and Mino R. Caira

{"title":"H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures†","authors":"Florea Dumitrascu, Marcel Mirel Popa, Sergiu Shova, Isabela C. Man, Constantin Draghici and Mino R. Caira","doi":"10.1039/D5CE00492F","DOIUrl":"https://doi.org/10.1039/D5CE00492F","url":null,"abstract":"Two new crystal structures of 4-acetyl-3-aryl-sydnones and their corresponding secondary alcohols obtained by hydrogenation of the acetyl ketone group were obtained and investigated by single-crystal X-ray diffraction, Hirshfeld analysis and DFT. Rather scarce in the CCDC database, 4-acetyl-3-aryl-sydnones presented interesting crystal features and by replacing the C<img>O group with a secondary O–H group, two new isostructural compounds were obtained revealing H/F isosteric replacement and strong O–H⋯O<img>C (sydnone) dimers, as well as attractive anti-parallel sydnone⋯sydnone electrostatic interactions directing the molecular packing. The OH⋯O<img>C hydrogen bonds detected previously by IR spectroscopy were confirmed by X-ray diffraction analysis. By changing the position of the secondary alcohol, from the sydnone ring to the para position of the phenyl ring, infinite OH⋯O<img>C driven arrays are obtained instead of dimers. DFT calculations were employed to investigate the H-bonded dimers and find reliable evidence of isostructurality by H/F replacement.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 30","pages":" 5162-5172"},"PeriodicalIF":2.6,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144714646","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