Crystal Growth & Design最新文献

Photocatalytic Synthesis of Au Nanoplates 金纳米板的光催化合成

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-20 DOI: 10.1021/acs.cgd.4c00675

Haruki Nagakawa, Tetsu Tatsuma

引用次数: 0

Ion Site Substitution in a Sulfonylcalix[4]arene-Supported Ln8 (Ln = Tb and Eu) Coordination Wheel with Tunable Luminescence 可调谐发光的磺酰基钙[4]炔支撑 Ln8（Ln = Tb 和 Eu）配位轮中的离子位点置换

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-20 DOI: 10.1021/acs.cgd.4c00682

Linmeng Xu, Tianxia Chen, Kun Zhou, Baokuan Chen, Yanfeng Bi

{"title":"Ion Site Substitution in a Sulfonylcalix[4]arene-Supported Ln8 (Ln = Tb and Eu) Coordination Wheel with Tunable Luminescence","authors":"Linmeng Xu, Tianxia Chen, Kun Zhou, Baokuan Chen, Yanfeng Bi","doi":"10.1021/acs.cgd.4c00682","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00682","url":null,"abstract":"Lanthanide coordination clusters (LCCs), namely, [Ln8(TC4A-SO2)4(TA)2(DMF)4(H2O)10] (solvents) (Ln8 = Tb8, Eu8, Tb4Eu4; H4TC4A-SO2 = p-tert-butylsulfonylcalix[4]arene; H4TA = dl-tartaric acid), were synthesized via the solvothermal method and were characterized by single-crystal X-ray diffraction. Ln8 is a wheel-shaped framework built from four cone-shaped mononuclear units (LnIII-TC4A-SO2) and four bridging-LnIII ions with two tartrates located in the center serving as “spokes”. Tb8 exhibits an extraordinary luminescence quantum yield (QYs) of 53.3% in the solid state under the excitation of 370 nm, while Eu8 cannot emit under similar conditions. Furthermore, Tb8 shows concentration-dependent emission in a methanol solution with the best luminescence QYl of 61.8%, representing one of the best luminescent Tb-based coordination clusters. The Eu ions can be rationally doped in the Tb ring (TbxEu8–x, 4 ≤ x < 8) by a stoichiometric ratio on specific sites to tune the emission color output, which reveals the efficient energy transfer from 5D4-7F5 and 5D4-7F6 levels of TbIII to the 5D0 level of EuIII. This work presents a unique method of controlling the fabrication and tunable luminescence of LCCs.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142250739","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

Functionalized Covalent Triazine Framework (CTF) for Catalytic CO2 Fixation and Synthesis of Value-Added Chemicals 用于催化二氧化碳固定和合成增值化学品的功能化共价三嗪框架 (CTF)

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-20 DOI: 10.1021/acs.cgd.4c00739

Ram Kishan, Pooja Rani, Gulshan Singh, C. M. Nagaraja

{"title":"Functionalized Covalent Triazine Framework (CTF) for Catalytic CO2 Fixation and Synthesis of Value-Added Chemicals","authors":"Ram Kishan, Pooja Rani, Gulshan Singh, C. M. Nagaraja","doi":"10.1021/acs.cgd.4c00739","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00739","url":null,"abstract":"The capture and utilization of CO2 for sustainable synthesis of commodity products represent a significant move toward mitigating the growing atmospheric CO2 content for environmental remediation. Meanwhile, Suzuki-Miyaura and Mizoroki-Heck cross-coupling reactions are considerable tools for generating valuable feedstock compounds, such as agrochemicals, natural products, drugs, etc. In this regard, we present the strategic incorporation of catalytically active Pd(II) in a porous covalent triazine framework (CTF) composed of bipyridine sites (bpy-CTF) by postsynthetic modification. Notably, Pd(II) anchored framework, Pd(II)@bpy-CTF, demonstrated exceptional catalytic function in the cyclization of CO2 with propargylic amines and in cross-coupling reactions (Heck and Suzuki-Miyaura), producing high-value commodity products under mild conditions. Further, various electronically and sterically challenging substrates were converted into the corresponding products by using Pd(II)@bpy-CTF as a catalyst. Notably, Pd(II)@bpy-CTF exhibited efficient reusability, sustaining eight catalytic cycles without substantial degradation. The exceptional catalytic behavior of Pd(II)@bpy-CTF is accredited to high abundance of N-rich triazine units and the exposed catalytic Pd(II) sites within the one-dimensional channels of the CTF. This work establishes the potential utility of triazine-based frameworks for utilizing carbon dioxide and stabilizing catalytically active metal ions in developing highly recyclable catalysts to generate value-added chemicals efficiently.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142250740","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

Insights into the Illuminating World of Nanocrystalline Materials: Structure–Property Relationships in Precise Nanocrystals to Ensembles 洞察纳米晶体材料的光辉世界：精确纳米晶体到集合体的结构-性能关系

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-19 DOI: 10.1021/acs.cgd.4c01098

Ryan W. Crisp, Shalini Singh

引用次数: 0

Flexible Ligands Constructed Metal–Organic Frameworks as Visual Test Paper for Fluorescent Detection 灵活配体构建的金属有机框架作为荧光检测的可视试纸

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-19 DOI: 10.1021/acs.cgd.4c01052

Qiao Han, Shuai Liu, Si-Qi Bao, Xiao Li, Tan Su, Chang Liu, Mengke Wang, Zhong-min Su

{"title":"Flexible Ligands Constructed Metal–Organic Frameworks as Visual Test Paper for Fluorescent Detection","authors":"Qiao Han, Shuai Liu, Si-Qi Bao, Xiao Li, Tan Su, Chang Liu, Mengke Wang, Zhong-min Su","doi":"10.1021/acs.cgd.4c01052","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01052","url":null,"abstract":"In this paper, four new metal–organic frameworks (MOFs) were synthesized by the solvothermal method based on two imidazolidyl flexible ligands, named, CUST-662–665, [Zn(pbbm)(HBTC)]·3H2O (CUST-662), [Cd2(pbbm)2(BTC)(NO3)·H2O]·2H2O (CUST-663), [Cd3(bbbm)3(BTC)2·4H2O]·3H2O (CUST-664), and [Zn2(bbbm)2(BTC)(HCOO)]·3H2O (CUST-665). All four MOFs with blue fluorescence show excellent performance in the detection of pollutants including Fe3+, Cr2O72–, trinitrophenol (TNP), and tetracycline antibiotics. Furthermore, the color of CUST-664 and CUST-665 changes from blue to yellow when detecting tetracycline (TC) and oxytetracycline (OTC), which can be further developed as simple and rapid field visual test paper as antibiotic detection devices. The detection limits of TNP, OTC, and TC can reach 0.36, 0.90, and 1.39 ppb, respectively, which are better than that of most of the reported fluorescence sensing materials. Moreover, CUST-662–665 display high selectivity, sensitivity, stability, and recycling efficiency. The competitive absorption between the crystals and pollutants was an important factor affecting fluorescence quenching. This work provides an experimental basis for subsequent fluorescence visualization field detection.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142250741","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

Ab Initio Molecular Dynamics Simulations of Phosphocholine Interactions with a Calcium Oxalate Dihydrate (110) Surface 磷酸胆碱与二水草酸钙 (110) 表面相互作用的 Ab Initio 分子动力学模拟

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-18 DOI: 10.1021/acs.cgd.4c01032

Rhiannon Morris, Helen F. Chappell, Andrew J. Scott, Antonia Borissova, James Smith

{"title":"Ab Initio Molecular Dynamics Simulations of Phosphocholine Interactions with a Calcium Oxalate Dihydrate (110) Surface","authors":"Rhiannon Morris, Helen F. Chappell, Andrew J. Scott, Antonia Borissova, James Smith","doi":"10.1021/acs.cgd.4c01032","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01032","url":null,"abstract":"We use ab initio modeling (CASTEP) to help elucidate the crystallization phenomena and chemistry behind kidney stone composition and formation. To explore the stone formation process, we have constructed a surface model of calcium oxalate dihydrate─the mineral most commonly found in patients with hypercalciuria and modeled stone growth, by simulating further calcium oxalate adsorption onto the surface (−7.446 eV, −0.065 eV/atom). Furthermore, urine analysis of kidney stone patients has previously revealed that their urine contains higher concentrations of phospholipids compared to healthy individuals. Therefore, to investigate the interactions between urinary macromolecules and the growing crystal surfaces at an atomic level, we have performed ab initio molecular dynamics simulations of phosphocholine adsorption on calcium oxalate surfaces. We have shown that the phosphocholine headgroups become entrapped within the growing crystal and the lowest energy structures (−18.008 eV, −0.0396 eV/atom) are those where the calcium oxalate dihydrate surfaces have become disrupted, with reorganization of their crystallographic structure. Urinary calculi (kidney stones) are a common ailment affecting around 10% of the world’s population and resulting in nearly 90,000 finished consultant episodes (FCE) each year in the United Kingdom [Hospital\u0000Episode Statistics, Admitted Patient Care─England, 2011–12\u0000NHS Digital, 2021–2022. https://digital.nhs.uk/data-and-information/publications/statistical/hospital-admitted-patient-care-activity/hospital-episode-statistics-admitted-patient-care-england-2011-12].","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268580","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

Template-Induced Crystallization of Novel Orthorhombic 9,10-Diphenylanthracene Polymorph 模板诱导的新型正交 9,10-二苯基蒽多晶型结晶

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-17 DOI: 10.1021/acs.cgd.4c00744

Alina A. Sonina, Darya S. Cheshkina, Maxim S. Kazantsev

{"title":"Template-Induced Crystallization of Novel Orthorhombic 9,10-Diphenylanthracene Polymorph","authors":"Alina A. Sonina, Darya S. Cheshkina, Maxim S. Kazantsev","doi":"10.1021/acs.cgd.4c00744","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00744","url":null,"abstract":"Polymorphism in organic semiconductor materials has attracted great interest due to the potential for tuning both structure and optoelectronic properties for next-generation optoelectronic devices. Therefore, developing methods to control the solution crystallization process is important for improving the kinetics of crystal nucleation and obtaining the desired functional systems. Template-induced crystallization is an intriguing crystallization control approach that enables heterogeneous nucleation of the solute on template surfaces, either intentionally introduced into the system or naturally occurring during crystallization. Here, we studied template-induced crystallization of the organic luminophore 9,10-diphenylanthracene (DPA) on the following crystals used as substrates: pyrene, perylene, anthracene, and rubrene. Crystallization of DPA in the presence of pyrene and perylene resulted in the formation of their cocrystals, whereas crystallization with anthracene and triclinic rubrene crystals had no effect on DPA polymorphism. We found that, in the presence of orthorhombic rubrene used as a template, a novel orthorhombic DPA polymorph (δ-DPA) crystallized. δ-DPA has herringbone packing similar to that of the used template. δ-DPA crystals demonstrated blue emission with a photoluminescence quantum yield of 52% and needlelike morphology. The results obtained could be used for crystallization control and engineering of high-performance conjugated crystalline materials.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142250743","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

Tunable Photoresponsive Behavior of Organic Materials by Polymorphic Variation: Topochemical [2 + 2] Cycloaddition vs E–Z Isomerization 通过多态性变化调控有机材料的光致伸缩行为：Topochemical [2 + 2] Cycloaddition vs E-Z Isomerization

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-16 DOI: 10.1021/acs.cgd.4c00759

Arivalagan Shabashini, Prasenjit Giri, Sathiaraj Richard, Ahmad Husain, Manas K. Panda, Ganesh Chandra Nandi

{"title":"Tunable Photoresponsive Behavior of Organic Materials by Polymorphic Variation: Topochemical [2 + 2] Cycloaddition vs E–Z Isomerization","authors":"Arivalagan Shabashini, Prasenjit Giri, Sathiaraj Richard, Ahmad Husain, Manas K. Panda, Ganesh Chandra Nandi","doi":"10.1021/acs.cgd.4c00759","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00759","url":null,"abstract":"Molecular crystals that can display stimuli-responsive behavior are a fascinating class of materials that can be used in various advanced technologies. However, designing and developing molecular crystal polymorphs that could respond differently to a single stimulus are still a challenging task. In this article, we report remarkably different photoresponses of the two polymorphs (DMA-α and DMA-β) of a simple donor–acceptor-type organic molecule (E)-3(4-(dimethylamino)phenyl)-2(4-(trifluoromethyl)phenyl)acrylonitrile (DMA). Upon 456 nm light irradiation, DMA-α crystals undergo topochemical [2 + 2] cycloaddition reaction due to favorable stacking of C═C double bonds in the crystal lattice, while DMA-β crystals exhibit E- to Z-isomerization reaction. Furthermore, the emission maxima (λmax,em) of both crystals shifted differently due to photoreaction. The origin of the distinct photoreactivities of two polymorphs could be rooted to different molecular packing and intermolecular interactions in the respective crystal lattices. Our work provides an effective strategy to tune the photoreactivity of organic crystalline materials and their potential applications in sensors, actuators, and other optoelectronic devices.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142250744","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

Polymorphism and Substitutional Effect on the Thermoresponsive and Luminescence Properties of Organic Molecular Crystals 有机分子晶体的多态性和取代效应对热致伸缩性和发光特性的影响

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-16 DOI: 10.1021/acs.cgd.4c00827

Prasita Mazumder, Dibyendu Dey, Prasenjit Giri, Souvik Garani, Ranajit Mandal, Ahmad Husain, Manas K. Panda

{"title":"Polymorphism and Substitutional Effect on the Thermoresponsive and Luminescence Properties of Organic Molecular Crystals","authors":"Prasita Mazumder, Dibyendu Dey, Prasenjit Giri, Souvik Garani, Ranajit Mandal, Ahmad Husain, Manas K. Panda","doi":"10.1021/acs.cgd.4c00827","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00827","url":null,"abstract":"Smart molecular crystals that macroscopically respond to various external stimuli such as light, thermal, pressure, or humidity have emerged as potential candidates for their applications as actuators, sensors, optoelectronics, and other machinery devices. These materials have the unique capability to transform stimuli-induced molecular response to bulk-scale property change. Compared to single-stimuli-responsive crystals, developing multistimuli-responsive crystals that can respond differently to various stimuli is a challenging task. In this manuscript, we report a new class of multistimuli-responsive acylhydrazone derivatives in which thermosalient (TS) actuation and solid-state luminescence can be tuned using polymorphism and substitutional variation. The crystals of methyl-substituted compound (N′-(4-(dimethyamino)benzylidene)-4-hydroxybenzohydrazide), NMe2OH, display prominent TS actuation and bright cyan luminescence in the solid state. On the contrary, two polymorphs of the ethyl-substituted compound (N′-(4-(diethyamino)benzylidene)-4-hydroxybenzohydrazide), NEt2OH-FL (Fluorescent) and NEt2OH-NFL (Nonfluorescent), exhibit drastically different thermal and optical responses. While NEt2OH-FL crystals display fascinating TS actuation and luminescence behavior, the NEt2OH-NFL crystals are nonthermosalient and nonluminescent. With the aid of the single-crystal, powder X-ray diffraction study, we have established that distinct stimuli-responsive properties of the crystals are rooted in their molecular conformations and crystal packing. Our work provides an effective approach to tune the stimuli-responsive behavior of molecular crystals for various technological applications.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142250745","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

Sandglass-like Ln9 Nanoclusters with Magnetocaloric Effect and Lanthanide-Centered Luminescence 具有磁致效应和以镧系元素为中心的发光特性的类砂玻璃 Ln9 纳米团簇

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-16 DOI: 10.1021/acs.cgd.4c01031

Tiantian Wang, Hao Wang, Wenbin Sun

{"title":"Sandglass-like Ln9 Nanoclusters with Magnetocaloric Effect and Lanthanide-Centered Luminescence","authors":"Tiantian Wang, Hao Wang, Wenbin Sun","doi":"10.1021/acs.cgd.4c01031","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01031","url":null,"abstract":"It is a challenging work to construct high-nuclear lanthanide nanoclusters with desirable magnetocaloric effects. To this end, a series of Ln9 nanoclusters with sandglass-like topological structures have been successfully synthesized under solvothermal conditions by using two different alcoholamine ligands and lanthanide (LnIII) salts, with the molecular formula [Ln9(L1)4(NO3)12(μ3-OH)8(μ4-OH)2(CH3CH2OH)4]·4.5CH3CH2OH·3Et3NH (LnIII = Gd (1-Gd), Eu (1-Eu), Tb (1-Tb)) and [Ln9(L2)8(NO3)8(μ3-OH)8(μ4-OH)2]·NO3 (LnIII = Gd (2-Gd), Eu (2-Eu), Tb (2-Tb)) (H2L1 = N-methyldiethanolamine and HL2 = 2-(2-aminoethoxy)ethanol). It is worth noting that both 1-Gd and 2-Gd exhibit intramolecular antiferromagnetic interactions and show typical magnetocaloric effect behavior. At a magnetic field strength of 7 T and a temperature of 3 K, the values of the −ΔSmmax are 33.65 J kg–1 K–1 for 1-Gd and 25.22 J kg–1 K–1 for 2-Gd. In addition, 1-Eu, 1-Tb, 2-Eu, and 2-Tb exhibit the characteristic luminescence of EuIII and TbIII ions, respectively. For 1-Tb, tunable emission from green to red was achieved by adjusting the doping ratio of lanthanide ions to obtain heterometallic clusters TbxEu9-x, offering the potential for high-fidelity optical barcode applications.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142250801","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