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Synthesis and Concomitant Polymorphs of Green Fluorescence Protein Chromophore-Anthracene-Based Fluorescent Analogue
IF 3.2 2区 化学
Crystal Growth & Design Pub Date : 2025-02-05 DOI: 10.1021/acs.cgd.4c0134710.1021/acs.cgd.4c01347
Bhupendra P. Mali, Niteen B. Dabke, Soumya R. Dash, Anupam Biswas, Kumar Vanka, Kochunnoonny Manoj and Rajesh G. Gonnade*, 
{"title":"Synthesis and Concomitant Polymorphs of Green Fluorescence Protein Chromophore-Anthracene-Based Fluorescent Analogue","authors":"Bhupendra P. Mali,&nbsp;Niteen B. Dabke,&nbsp;Soumya R. Dash,&nbsp;Anupam Biswas,&nbsp;Kumar Vanka,&nbsp;Kochunnoonny Manoj and Rajesh G. Gonnade*,&nbsp;","doi":"10.1021/acs.cgd.4c0134710.1021/acs.cgd.4c01347","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01347https://doi.org/10.1021/acs.cgd.4c01347","url":null,"abstract":"<p >Controlled variations in fluorescence properties hold significant promise for applications in optical sensors, bioimaging, and advanced display devices. However, constructing multicolor fluorescent systems remains a challenge. In this study, we demonstrate the development of multicolor fluorescence by generating polymorphs of a novel green fluorescent protein chromophore analogue, which exhibits distinct photoluminescence emissions in the solid state. The observed emission variations are attributed to differences in molecular conformation due to variations in π-stacking interactions between the polymorphs. This offers a novel approach to designing materials with tunable fluorescence properties.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"1011–1022 1011–1022"},"PeriodicalIF":3.2,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435854","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Synthesis of a (3,7)-Connected Metal–Organic Framework by Post-Synthetic Linker Reorganization for High Iodine Adsorption
IF 3.2 2区 化学
Crystal Growth & Design Pub Date : 2025-02-05 DOI: 10.1021/acs.cgd.4c0141110.1021/acs.cgd.4c01411
Shoujun Wang, Yinghao Xu, Huanhuan Xie, Wencai Li, Binbin Tu*, Qingqing Pang*, Simin Liu and Qiaowei Li, 
{"title":"Synthesis of a (3,7)-Connected Metal–Organic Framework by Post-Synthetic Linker Reorganization for High Iodine Adsorption","authors":"Shoujun Wang,&nbsp;Yinghao Xu,&nbsp;Huanhuan Xie,&nbsp;Wencai Li,&nbsp;Binbin Tu*,&nbsp;Qingqing Pang*,&nbsp;Simin Liu and Qiaowei Li,&nbsp;","doi":"10.1021/acs.cgd.4c0141110.1021/acs.cgd.4c01411","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01411https://doi.org/10.1021/acs.cgd.4c01411","url":null,"abstract":"<p >Introducing complexity into metal–organic frameworks (MOFs) with specific topologies is attractive for modulating the porosities and functions of these materials for targeted applications. In this work, we report the construction of a novel multicomponent MOF via post-synthetic linker reorganization. By incorporating the ditopic azobenzene-4,4′-dicarboxylic acid (H<sub>2</sub>AzoBDC) linker into MOF-177 crystals, which consist of 6-connected (6-c) Zn<sub>4</sub>O(CO<sub>2</sub>)<sub>6</sub> secondary building units (SBUs) and tritopic 1,3,5-tris(4-carboxyphenyl)benzene (H<sub>3</sub>BTB) linkers, through a post-synthesis process, we obtained a rare (3,7)-c multicomponent MOF, [Zn<sub>4</sub>O(BTB)(AzoBDC)<sub>2</sub>(Et<sub>2</sub>NH<sub>2</sub>)] (WUST-3) based on a 7-c Zn<sub>4</sub>O cluster and both linkers. The significant changes in connectivity and topology of WUST-3 can be attributed to the reorganization of two geometrically distinct linkers with a large linker length ratio. Impressively, WUST-3 shows exceptionally high adsorption capacity for iodine (3.34 g g<sup>–1</sup>) in cyclohexane due to its porous structure with ionic moieties in the pore and the electron-rich, π-conjugated walls of the channel, which form strong and multiple host–guest interactions with iodine.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"1082–1089 1082–1089"},"PeriodicalIF":3.2,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Fabrication of TiO2/MOF Type II Heterojunction by Growth of TiO2 on Cr-Based MOF for Enhanced Photocatalytic Hydrogen Production
IF 3.2 2区 化学
Crystal Growth & Design Pub Date : 2025-02-05 DOI: 10.1021/acs.cgd.4c0153010.1021/acs.cgd.4c01530
Xiaoxiao Li, Xinya Feng, Delong Meng, Xiao-Jing Hu, Lan Li, Yiming Zhang and Xusheng Wang*, 
{"title":"Fabrication of TiO2/MOF Type II Heterojunction by Growth of TiO2 on Cr-Based MOF for Enhanced Photocatalytic Hydrogen Production","authors":"Xiaoxiao Li,&nbsp;Xinya Feng,&nbsp;Delong Meng,&nbsp;Xiao-Jing Hu,&nbsp;Lan Li,&nbsp;Yiming Zhang and Xusheng Wang*,&nbsp;","doi":"10.1021/acs.cgd.4c0153010.1021/acs.cgd.4c01530","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01530https://doi.org/10.1021/acs.cgd.4c01530","url":null,"abstract":"<p >MOF-based heterojunctions can significantly enhance the efficiency of photocatalytic hydrogen production; however, the construction of efficient MOF-based heterojunctions remains a formidable challenge. In this study, we successfully developed a series of Type II MOF-based heterojunctions by growing TiO<sub>2</sub> on Cr-based MOF, thereby regulating the generation, separation, and transportation of photogenerated charge carriers to improve photocatalytic hydrogen evolution performance. Among these, the 23%TiO<sub>2</sub>/MIL-101(Cr) photocatalyst exhibited the highest photocatalytic hydrogen production activity, achieving 884.01 μmol g<sup>–1</sup> in just 5 h, which is 6.8 and 6.0 times that of pure MIL-101(Cr) and TiO<sub>2</sub>, respectively. Additionally, the 23%TiO<sub>2</sub>/MIL-101(Cr) photocatalyst demonstrated excellent cyclic stability. Tiny TiO<sub>2</sub> particles were proven mainly deposited on the MIL-101(Cr) surface by N<sub>2</sub> sorption isotherm analyses, transmission electron microscopy (TEM), high-resolution TEM, high-angle annular dark field scanning transmission electron microscopy, etc. Characterization techniques such as in situ XPS confirmed the formation of the TiO<sub>2</sub>/MIL-101(Cr) Type II heterostructure. Band structure analysis indicates that the 23%TiO<sub>2</sub>/MIL-101(Cr) meets the thermodynamic requirements for photocatalytic hydrogen production. Furthermore, transient photocurrent measurements, electrochemical impedance analysis, and photoluminescence reveal that the 23%TiO<sub>2</sub>/MIL-101(Cr) possesses superior capabilities in photogenerated charge carrier generation, separation, and transport, resulting in efficient photocatalytic hydrogen production from a kinetic perspective. This research offers valuable insights into the preparation of MOF-based heterojunctions and the development of efficient photocatalysts for hydrogen production.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"1182–1189 1182–1189"},"PeriodicalIF":3.2,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435914","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Crystal Structures of Three Polymorphs of Cs3ScF6 by Means of Solid-State NMR, X-Ray, and Neutron Diffraction
IF 3.2 2区 化学
Crystal Growth & Design Pub Date : 2025-02-04 DOI: 10.1021/acs.cgd.4c0159810.1021/acs.cgd.4c01598
Aydar Rakhmatullin*, Graham King, Maxim S. Molokeev, Ilya B. Polovov, Konstantin V. Maksimtsev, Emmanuelle Suard, Rinat Bakirov, František Šimko, Catherine Bessada and Mathieu Allix, 
{"title":"Crystal Structures of Three Polymorphs of Cs3ScF6 by Means of Solid-State NMR, X-Ray, and Neutron Diffraction","authors":"Aydar Rakhmatullin*,&nbsp;Graham King,&nbsp;Maxim S. Molokeev,&nbsp;Ilya B. Polovov,&nbsp;Konstantin V. Maksimtsev,&nbsp;Emmanuelle Suard,&nbsp;Rinat Bakirov,&nbsp;František Šimko,&nbsp;Catherine Bessada and Mathieu Allix,&nbsp;","doi":"10.1021/acs.cgd.4c0159810.1021/acs.cgd.4c01598","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01598https://doi.org/10.1021/acs.cgd.4c01598","url":null,"abstract":"<p >Three polymorphs were found to exist for Cs<sub>3</sub>ScF<sub>6</sub> in the room temperature range of up to 280 °C. Two phase transitions were identified by differential scanning calorimetry (DSC) analyses at 92 and 196 °C upon heating. In situ high-temperature solid-state NMR, synchrotron and laboratory X-ray diffraction, and neutron powder diffraction were used for structural characterization. The crystal structure of the high-temperature (γ) phase adopts the cubic <i>Fm</i>3̅<i>m</i> (<i>Z</i> = 4) space group with <i>a</i> = 9.6048(7) Å at 250 °C. The other two polymorphs, α and β, have tetragonal symmetry with space groups <i>I</i>4<sub>1</sub>/<i>a</i> (Z= 80) and <i>I</i>4/<i>m</i> (Z= 10), and lattice parameters are <i>a</i> = 21.15222(6) Å, <i>c</i> = 38.21648(8) Å and <i>a</i> = 15.0401(2) Å, <i>c</i> = 9.6341(2) Å at RT and 150 °C, respectively.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"1217–1223 1217–1223"},"PeriodicalIF":3.2,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436257","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Crystallographic and Spectroscopic Footprints of Hydrophobic and Hydrophilic Hydrogen Bonding within 2D Coordination Polymers
IF 3.2 2区 化学
Crystal Growth & Design Pub Date : 2025-02-04 DOI: 10.1021/acs.cgd.4c0113310.1021/acs.cgd.4c01133
Lucero Torres, Manuel Ávila-Santos*, Jesús Vega-Moreno, Benjamín Portales-Martínez, Marco A. Vera and A. Adela Lemus-Santana*, 
{"title":"Crystallographic and Spectroscopic Footprints of Hydrophobic and Hydrophilic Hydrogen Bonding within 2D Coordination Polymers","authors":"Lucero Torres,&nbsp;Manuel Ávila-Santos*,&nbsp;Jesús Vega-Moreno,&nbsp;Benjamín Portales-Martínez,&nbsp;Marco A. Vera and A. Adela Lemus-Santana*,&nbsp;","doi":"10.1021/acs.cgd.4c0113310.1021/acs.cgd.4c01133","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01133https://doi.org/10.1021/acs.cgd.4c01133","url":null,"abstract":"<p >In an aqueous solution, stability of the amphiphiles is attributed to the hydration of both polar and nonpolar groups. This study introduces a novel family of 2D tetracyanonickellate coordination polymers with unique crystallization properties, offering insights into simplified hydration shells and their spectroscopic signatures. The observed DMSO organization and water molecule arrangement in these structures provide a valuable model for understanding hydrophilic–hydrophobic interactions in complex systems. We present here crystallographic, thermogravimetric, and spectroscopic data on structural and vibrational differentiation of water in the vicinity of DMSO molecules at the atomic level. The new six 2D tetracyanonickellate coordination polymers, M[Ni(CN)<sub>4</sub>], with M = Mn(<b>1</b>), Fe(<b>2</b>), Co(<b>3</b>), Ni(<b>4</b>), Zn(<b>5</b>), and Cd(<b>6</b>), achieved crystallization of the H<sub>2</sub>O–DMSO mixture in the form of 1D assemblies. Hydrophilic and hydrophobic environments followed DMSO head-to-head and tail-to-tail organization driven by hydrogen bonds. Remarkably, the crystalline arrangement led to methyl and sulfoxide fragments, with only one water molecule fixed in their vicinity. The family of new solids crystallizes in the tetragonal space group (81), with average unit-cell parameters of <i>a</i> = <i>b</i> = 10.396(3), <i>c</i> = 7.980(4), and <i>V</i> = 862.9(3) (<i>Z</i> = 2) as determined by PXRD. Upon heating, DMSO and H<sub>2</sub>O were simultaneously evacuated from crystalline solids as assessed by thermogravimetric analysis and mass spectrometry studies. Vibrational analysis of each sample was performed by means of MIR, FIR, and Raman spectra in the range of 4000–150 cm<sup>–1</sup>. Both the <sup>113</sup>Cd spectra of <b>6</b> and <sup>13</sup>C SSNMR spectra of Zn (<b>5</b>) and Cd (<b>6</b>) are discussed.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"924–935 924–935"},"PeriodicalIF":3.2,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436137","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Incommensurate Displacive and Occupational Modulation in Hexakis(Urea-O)Iron(III) Nitrate
IF 3.2 2区 化学
Crystal Growth & Design Pub Date : 2025-02-04 DOI: 10.1021/acs.cgd.4c0145710.1021/acs.cgd.4c01457
Laura Bereczki, Kende Attila Béres, Eva Kovats, Attila Benyei, Robert Hühn, Džonatans Miks Melgalvis, Zoltan Homonnay, László Kótai, Petra Bombicz and Toms Rekis*, 
{"title":"Incommensurate Displacive and Occupational Modulation in Hexakis(Urea-O)Iron(III) Nitrate","authors":"Laura Bereczki,&nbsp;Kende Attila Béres,&nbsp;Eva Kovats,&nbsp;Attila Benyei,&nbsp;Robert Hühn,&nbsp;Džonatans Miks Melgalvis,&nbsp;Zoltan Homonnay,&nbsp;László Kótai,&nbsp;Petra Bombicz and Toms Rekis*,&nbsp;","doi":"10.1021/acs.cgd.4c0145710.1021/acs.cgd.4c01457","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01457https://doi.org/10.1021/acs.cgd.4c01457","url":null,"abstract":"<p >The structure of hexakis(urea-<i>O</i>)iron(III) nitrate is found to be incommensurately modulated. It is described in (3 + 1)-dimensional superspace adopting the superspace group <i>C</i>2/<i>c</i>(<i>σ</i><sub>1</sub>0σ<sub>3</sub>)00 with the modulation wavevector <b>q</b> = −0.7394(7)<b>a</b><sup><b>∗</b></sup>+0.9390(8)<b>c</b><sup><b>∗</b></sup>. Up to the third-order satellite reflections are observed in the diffraction data collected at 100 K. Consequently, there is an anharmonic displacive modulation present in the hexacoordinated iron(III) complex. Nitrate ions are found in two symmetrically independent sites in the unit cell and form two disordered ensembles with three disordered components and two disordered components, respectively. The latter site is located near a 2-fold axis, resulting in a total of four disorder components for this molecular site. Along with the displacive modulation for the nitrate ions, there is also a complex occupational modulation present. Possible origins of the modulation are discussed.</p><p >The incommensurately modulated structure of hexakis(urea-<i>O</i>)iron(III) nitrate is elucidated in (3 + 1)-dimensional superspace to reveal displacive modulation of the complex moiety and additional occupational modulation of the nitrate ions.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"1148–1154 1148–1154"},"PeriodicalIF":3.2,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.cgd.4c01457","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436108","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Magnetic Relaxation and Luminescence Properties of Chloranilate-Bridged 3d–4f Tetranuclear Clusters
IF 3.2 2区 化学
Crystal Growth & Design Pub Date : 2025-02-04 DOI: 10.1021/acs.cgd.4c0140910.1021/acs.cgd.4c01409
Yu-Qi Gao, Zhong-Wu An, Shao-Min Xu and Min-Xia Yao*, 
{"title":"Magnetic Relaxation and Luminescence Properties of Chloranilate-Bridged 3d–4f Tetranuclear Clusters","authors":"Yu-Qi Gao,&nbsp;Zhong-Wu An,&nbsp;Shao-Min Xu and Min-Xia Yao*,&nbsp;","doi":"10.1021/acs.cgd.4c0140910.1021/acs.cgd.4c01409","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01409https://doi.org/10.1021/acs.cgd.4c01409","url":null,"abstract":"<p >By using chloranilate anions to react with 3d complexes ([M(L)(H<sub>2</sub>O)<sub>2</sub>], H<sub>2</sub>L = 1,3-propanediylbis(2-iminomethylene-6-methoxy-phenol)) and 4f ions, a series of phenoxo- and chloranilate-bridged zigzag M<sub>2</sub>Ln<sub>2</sub> clusters (M = Ni, Ln = Gd, Tb, Dy, Ho, and Eu for <b>1</b>–<b>5</b>, respectively; M = Zn, Ln = Gd, Tb, Dy, Ho, and Eu for <b>6</b>–<b>10</b>, respectively) have been obtained and structurally characterized. They are rare chloranilate-bridged 3d–4f heterometallic complexes. All of the Tb and Eu derivatives exhibit characteristic emission peaks of the corresponding Ln<sup>III</sup> ion. Magnetic studies reveal that two Dy derivatives display field-induced single-molecule magnet properties with energy barriers of 7.44 K for <b>3</b> and 50.64 K for <b>8</b>.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"1066–1074 1066–1074"},"PeriodicalIF":3.2,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436107","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Ionic Radius Ratio versus Tolerance Factor to Design Metal Formate Framework Chiral Magnets
IF 3.2 2区 化学
Crystal Growth & Design Pub Date : 2025-02-03 DOI: 10.1021/acs.cgd.4c0143110.1021/acs.cgd.4c01431
Truc Dong Thanh Nguyen, Goulven Cosquer and Katsuya Inoue*, 
{"title":"Ionic Radius Ratio versus Tolerance Factor to Design Metal Formate Framework Chiral Magnets","authors":"Truc Dong Thanh Nguyen,&nbsp;Goulven Cosquer and Katsuya Inoue*,&nbsp;","doi":"10.1021/acs.cgd.4c0143110.1021/acs.cgd.4c01431","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01431https://doi.org/10.1021/acs.cgd.4c01431","url":null,"abstract":"<p >The observation of topologically protected spin phase objects, such as spin solitons and skyrmions, hinges on the ability to control the chiral space group and crystal system. The space group is of particular significance with regard to chiral spin structures. In this context, the study of chiral crystal systems has become a significant area of interest. The use of a tolerance factor has been proposed as a means of predicting the crystal space group and crystal system. This study demonstrates the inaccuracy of the tolerance factor in predicting crystalline systems and its limitations in the design of high-dimensional chiral crystalline systems from a newly synthesized compound. In order to enhance the efficacy of the prediction methodology, a comprehensive investigation was conducted on the novel synthesized chiral magnetic crystals and reported crystal structures. A strong correlation was identified between the crystal systems and the ionic radii ratios of the metal components. The crystallization of small A<sup>+</sup> cations (small A<sup>+</sup> radii/M<sup>2+</sup> radii ratio) into a cubic crystal system is enabled by their smaller size. Conversely, large A<sup>+</sup> cations (large A<sup>+</sup> radii/M<sup>2+</sup> radii ratio) facilitate the formation of lower symmetry crystal systems, including monoclinic and hexagonal structures. The findings of this study provide a foundation for the development of more symmetrical chiral magnetic materials.</p><p >A strong correlation was identified between the crystal systems and the ionic radii ratio of the metal components. The crystallization of small A<sup>+</sup> cations (small A<sup>+</sup> radii/M<sup>2+</sup> radii ratio) into a cubic crystal system is enabled by their smaller size. Large A<sup>+</sup> cations (large A<sup>+</sup> radii/M<sup>2+</sup> radii ratio) facilitate the formation of lower symmetry crystal systems, including monoclinic and hexagonal structures.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"890–894 890–894"},"PeriodicalIF":3.2,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.cgd.4c01431","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436124","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Distinguishing between Coordination and Spodium Bonds in the Dinuclear Cadmium(II) Complex of Lawesson’s-Derived Phosphonodithioates
IF 3.2 2区 化学
Crystal Growth & Design Pub Date : 2025-02-03 DOI: 10.1021/acs.cgd.4c0102710.1021/acs.cgd.4c01027
Pretam Kumar*, Snehasis Banerjee and Sushil K. Pandey*, 
{"title":"Distinguishing between Coordination and Spodium Bonds in the Dinuclear Cadmium(II) Complex of Lawesson’s-Derived Phosphonodithioates","authors":"Pretam Kumar*,&nbsp;Snehasis Banerjee and Sushil K. Pandey*,&nbsp;","doi":"10.1021/acs.cgd.4c0102710.1021/acs.cgd.4c01027","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01027https://doi.org/10.1021/acs.cgd.4c01027","url":null,"abstract":"<p >In this study, Lawesson’s-derived phosphonodithioates and associated cadmium(II) complex, with the molecular formula of (4-C<sub>6</sub>H<sub>4</sub>OMe){4-C(CH<sub>3</sub>)<sub>3</sub>C<sub>6</sub>H<sub>4</sub>O}PS<sub>2</sub>NHEt<sub>3</sub> (<b>1</b>), (4-C<sub>6</sub>H<sub>4</sub>OMe){4-C(CH<sub>3</sub>)<sub>3</sub>C<sub>6</sub>H<sub>4</sub>O}PS<sub>2</sub>Na (<b>2</b>), and [Cd{S<sub>2</sub>P(OC<sub>6</sub>H<sub>4</sub>(4-C(CH<sub>3</sub>)<sub>3</sub>))(4-C<sub>6</sub>H<sub>4</sub>OMe)}<sub>2</sub>] (<b>3</b>), were assembled and characterized structurally. Crystallographic studies indicate that <b>1</b> and <b>3</b> crystallize in the triclinic <i>P̅</i>1 space group. The solid-state structure analysis revealed that complex <b>3</b> is a centrosymmetric dinuclear species. The two symmetry-related Cd atoms are simultaneously bridged and chelated by sulfur atoms of four S<sub>2</sub>P(OC<sub>6</sub>H<sub>4</sub>(4-C(CH<sub>3</sub>)<sub>3</sub>))(4-C<sub>6</sub>H<sub>4</sub>OMe) anions, thus bonding with four S atoms in a distorted tetrahedral environment. As a result, an eight-membered core with a “twisted chair” conformation is joined to two four-membered chelate rings. Intramolecular spodium bonds (SpBs) are established between the S atom of the bridging ligands and the Cd(II) center. The theoretical studies (viz., density functional theory (DFT), quantum theory of atoms in molecules (QTAIM), and noncovalent interaction plot (NCIplot)) have been performed to investigate the existence of SpBs in the synthesized complex. Moreover, Hirshfeld surface analysis has been directed to perceive the intermolecular noncovalent contacts within the crystal lattice.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"912–923 912–923"},"PeriodicalIF":3.2,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436064","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
An AIE-Active Fe(II) Complex Exhibiting Synergistic Spin-Crossover and Luminescent Properties
IF 3.2 2区 化学
Crystal Growth & Design Pub Date : 2025-02-03 DOI: 10.1021/acs.cgd.4c0172610.1021/acs.cgd.4c01726
Jinjiang Wu, Qianqian Yang, Xiao-Lei Li*, Zhenhua Zhu, Chen Zhao, Tao Liu* and Jinkui Tang*, 
{"title":"An AIE-Active Fe(II) Complex Exhibiting Synergistic Spin-Crossover and Luminescent Properties","authors":"Jinjiang Wu,&nbsp;Qianqian Yang,&nbsp;Xiao-Lei Li*,&nbsp;Zhenhua Zhu,&nbsp;Chen Zhao,&nbsp;Tao Liu* and Jinkui Tang*,&nbsp;","doi":"10.1021/acs.cgd.4c0172610.1021/acs.cgd.4c01726","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01726https://doi.org/10.1021/acs.cgd.4c01726","url":null,"abstract":"<p >The investigation of the synergistic relationship between spin-crossover (SCO) and luminescence has recently become a field of intensive research. However, the weak emission intensity of these complexes presents a challenge for the study of luminescence properties in the aggregated state. In general, an aggregation-induced emission (AIE)-active ligand can be introduced to enhance luminescent intensities and fabricate SCO-fluorescent materials. Herein, a mononuclear complex [Fe(bpp-TPE)<sub>2</sub>]·(ClO<sub>4</sub>)<sub>2</sub>·H<sub>2</sub>O·0.5CH<sub>2</sub>Cl<sub>2</sub> (<b>bpp-TPE-Fe</b>), where bpp-TPE = (<i>E</i>)-1-(2,6-di(1H-pyrazol-1-yl)pyridin-4-yl)-<i>N</i>-(4-(1,2,2-triphenylvinyl)phenyl)methanimine, bearing an AIE-active fluorophore, was synthesized. This complex exhibits a gradual SCO behavior and strong luminescence in the aggregated state. Moreover, the SCO process covers the temperature range where a substantial increase in luminescence intensity occurs, implying a coupling between SCO and fluorescence. At the same time, the AIE behavior of <b>bpp-TPE-Fe</b> was investigated in a DCM/<i>n</i>-hexane mixture. This work provides a promising strategy for the development of multifunctional switchable materials.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 4","pages":"1276–1281 1276–1281"},"PeriodicalIF":3.2,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436066","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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