Molecular Crystals and Liquid Crystals最新文献

{"title":"Synthesis, crystal structure, and DFT study of ethyl benzimidate and 4-phenyl-1,3,5-triazin-2-amine","authors":"Yixia Gong, Yuqing Chen, Yixiu Zhang, Mingyu Huang, Deqi Kong, Xueli Bai, Yiding Geng","doi":"10.1080/15421406.2023.2283275","DOIUrl":"https://doi.org/10.1080/15421406.2023.2283275","url":null,"abstract":"Ethyl benzimidate and 4-phenyl-1,3,5-triazin-2-amine are important intermediates for the synthesis of triazine compounds. The structure of the target compounds were confirmed using 1H NMR, 13C NMR,...","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"63 11","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138512791","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Z-scan and mechanical analysis of 2-phenyl benzimidazole for optical switching application","authors":"Muthuraja A, Sundari S., Swetha R., Aruna J., Oviyaa S., Salomi P., Pavithra M, Roshini S, Sandhiya S, Sneha T, R. Amreen Thabasum, Keerthiga M, Girubi D, Muthasri D, Sowmiya A, Sathiya G","doi":"10.1080/15421406.2023.2277552","DOIUrl":"https://doi.org/10.1080/15421406.2023.2277552","url":null,"abstract":"AbstractThe slow evaporation solution growth technique is used to grow single crystals of 2-phenylbenzimidazole (2PBMZ). The crystal belongs to the monoclinic system with space group C2/c, which is revealed through the single crystal XRD. The cutoff wavelength and optical band gap energy of the 2PBMZ crystal were observed at 568 nm and 1.96 ev respectively. The Vickers (Hv) hardness number, yield strength and stiffness constant are calculated, which is found to increase with the applied load. The Z-scan technique with He–Ne laser (632.8 nm) has been used to study the third-order nonlinear optical property of 2PBMZ crystal.Keywords: Crystal growthVickers MicrohardnessZ-Scan AcknowledgmentsThe authors are also thankful to VIT University for providing excellent research support.Disclosure statementNo potential conflict of interest was reported by the authors.","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":" 629","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135186232","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation of graphene flake and photonic crystal structure enhancement effect by Raman spectroscopy of thymine","authors":"A. Yaremkevych, O. Fesenko, V. Hryn, P. Yezhov, S. Bellucci, T. Smirnova","doi":"10.1080/15421406.2023.2278197","DOIUrl":"https://doi.org/10.1080/15421406.2023.2278197","url":null,"abstract":"AbstractRaman spectroscopy is widely used for studying bioorganic materials. However, dealing with biological samples presents challenges such as limited quantities, tight timelines, complex preparation, and the need for improved precision. Hence, efforts are needed to enhance sensitivity and visualization for specific molecules or cells. This study explored using periodic waveguide structures (PWS) to amplify Raman signals of biological molecules, focusing on thymine. We found that composite nanostructures significantly boosted thymine’s Raman signal, further enhanced by injecting graphene nanoflakes. This research highlights the potential of enhanced Raman techniques in bioanalysis and paves the way for future advancements in this field.Keywords: Biological moleculesgrapheneperiodic waveguide structuresRaman spectroscopythymine Disclosure statementNo potential conflict of interest was reported by the author(s).Declaration of interest statementThe authors report there are no competing interests to declare.Additional informationFundingThis work was supported by the grant of the National Research Foundation of Ukraine within the framework of the Project 2022.01/0011 \"Innovative photonic technologies of bio-medical direction for the post-war reconstruction of Ukraine\", the Project №1.4. В/199 “Study of optical, plasmonic, and electrophysical properties of metal-carbon nanostructures”, the NATO Multi-years Project SPS G5351 “Nanocomposite Based Photonic Crystal Sensors of Biological and Chemical Agents”, the internal project of Fraunhofer IAP “Development of holographic photonic crystals using organic-inorganic nanocomposites as components for marker-free optical sensors”, and the Target Program of Fundamental Research of National Academy of Sciences of Ukraine, Project “Laser engineering of nanoobjects: physical foundations and applications”.","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"131 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135342436","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design, synthesis, experimental and theoretical studies on hydrogen bond liquid crystal complexes (HBLC) derived from α, ω-dicarboxylic acid and alkyloxy benzoic acids","authors":"V. Balasubramanian, Ginson P. Joseph, S. Sundaram, V. N. Vijayakumar, R. Sukanya","doi":"10.1080/15421406.2023.2277980","DOIUrl":"https://doi.org/10.1080/15421406.2023.2277980","url":null,"abstract":"AbstractNovel hydrogen bond liquid crystal (HBLC) complexes are prepared from the combination of non-mesogenic (α, ω-dicarboxylic acid) 2, 2-Dimethylsuccinic acid (DMSA) and liquid crystalline 4-n-alkyloxybenzoic acids (nOBA, n = 7 to 12). Mesogenic behavior of all complexes is analyzed by polarized optical microscope (POM) along with their thermal properties using differential scanning calorimeter (DSC). The microstructure of DMSA + 11OBA HBLC complex is observed by Field emission-scanning electron microscope (FE-SEM). The molecular geometry of DMSA + 7OBA HBLC complex is optimized. Intermolecular H-bonding of complexes is evinced using experimental and theoretical Fourier transform infrared spectroscopy (FTIR). Natural bonding orbitals (NBO) study supported the occurrence of H-bonds.Keywords: DFT calculationHBLCMEP analysisPOMSm C AcknowledgmentsOne of the authors, V.N. Vijayakumar, acknowledges the financial support of the UGC-DAE, CSR-CRS/2022-23/04/887 dated15.05.2023, Department of Science and Technology (No. SERB/F/7454/2013-2014, dated February 21, 2014), New Delhi, and the Department of Atomic Energy (No. 34/14/14/2016-BRNS/34039, dated April 22, 2016), the Board of Research in Nuclear Science (DAE-BRNS), TNSCST/RFRS/VR/19/2018-2019/7666, dated June 6, 2019, TNSCST/RFRS/PS/VR/09/2020-2021/Dtd:27.04.2023 and infrastructural support provided by the Bannari Amman Institute of Technology, Sathyamangalam. We acknowledge NMR facility, CIC, Bharathiar University supported by DST (PURSE Phase II programme), New Delhi. The authors are grateful to Dr. R. Jayaprakasam (Rtd), Associate Professor, Department of Chemistry, Bannari Amman Institute of Technology, Sathyamangalam for his constant support.Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingThis work was supported by UGC-DAE Consortium for Scientific Research, University Grants Commission.","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"69 3","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135479882","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Discotic liquid crystals of transition metal complexes 60 ^† : synthesis and π-acceptor abilities of novel discotic liquid crystals based on dithiolene nickel complex","authors":"Kazuchika Ohta, Hiroshi Hirazawa","doi":"10.1080/15421406.2023.2272393","DOIUrl":"https://doi.org/10.1080/15421406.2023.2272393","url":null,"abstract":"AbstractWe have synthesized thirteen novel metallomesogens based on dithiolene nickel complex showing π-acceptor properties: (o-C12OPhO)4DTNi (1), (m-C12OPhO)4DTNi (2), (p-C12OPhO)4DTNi (3), [o,m-(C12O)2PhO]4DTNi (4), [m,m′-(C12O)2PhO]4DTNi (5), [p,m-(CnO)2PhO]4DTNi (6: n = 10(a), 12(b), 14(c), 16(d)) and Cl-[p,m-(CnO)2PhO]4DTNi (7a–d). By using plarizing microscopic observations, differential scanning chalorimetry, and temperature-variable X-ray diffraction studies, the columnar liquid crystalline mesophases were established for the 6a–d and 7a–d derivatives. It was also revealed from the electrochemical measurements that each of the complexes of 1–7 showed good π-acceptor abilities. In particular, the derivatives, Cl-[p,m-(CnO)2PhO]4DTNi (7a–d), exhibit the most positive reduction potential from +0.08 to +0.07 V versus. SCE.Keywords: Acceptor abilitydiscotic liquid crystaldithiolne nickel complexhomeotropic alignmentmetallomesogen Disclosure statementNo potential conflict of interest was reported by the authors.","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"2018 47","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135636482","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation of the colorful retroreflective film based on the polymer-stabilized cholesteric liquid crystal","authors":"Yajie Yang, Jinghua Zhao, Wei Liu, Yi Li, Yonggang Yang","doi":"10.1080/15421406.2023.2274665","DOIUrl":"https://doi.org/10.1080/15421406.2023.2274665","url":null,"abstract":"AbstractA cholesteric liquid crystal (CLC) mixture was prepared using a photoisomerizable chiral dopant and acrylates. With extending the irradiation time of a 365-nm UV light, the Bragg reflection band of the CLC mixture shifted to long wavelength. After photopolymerization, a polymer-stabilized CLC (PSCLC) film was obtained. The colorful PSCLC patterns with glass microspheres on the surface were prepared by controlling the competition between the photoisomerization of the chiral dopant and the photopolymerization of the acrylates. Due to the retroreflective property, the patterned PSCLC films can be applied as the traffic signs and for advertisement.Keywords: Colorful patternphotoisomerizationpolymer-stabilized cholesteric liquid crystalretroreflection Disclosure statementNo potential conflict of interest was reported by the authors.Additional informationFundingThis work was supported by the National Natural Science Foundation of China (No. 52273212), the Project of Scientific and Technologic Infrastructure of Suzhou (SZS201905), the Key Laboratory of Polymeric Materials Design and Synthesis for Biomedical Function, and the Natural Science Foundation of the Jiangsu Higher Education Institutions of China (20KJA430009).","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"28 3-4","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135221050","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular crystals and computational exploration of imines as drugs with reference to SARS-CoV-2 viral proteins","authors":"Simranjeet Singh, Mukesh Choudhary","doi":"10.1080/15421406.2023.2273670","DOIUrl":"https://doi.org/10.1080/15421406.2023.2273670","url":null,"abstract":"","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136157090","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and investigation of mixed Zn–Ni spinel nanoparticles for microwave applications","authors":"O. P. Fedorchuk, T. O. Plutenko, M. O. Plutenko, O. I. V’yunov, P. V. Torchyniuk, O. V. Khomenko, Ye. V. Lobko, A. M. Darabut, M. G. Rodríguez, J. Nováková, I. Matolínová","doi":"10.1080/15421406.2023.2272391","DOIUrl":"https://doi.org/10.1080/15421406.2023.2272391","url":null,"abstract":"AbstractNickel ferrite solid solutions remain one of the main materials for a whole range of applications, including microwave equipment and components, the requirements for parameters and homogeneity of materials are constantly increasing. In this work, Ni1–xZnxFe2O4 nanoparticles with an average diameter of 12.5 nm were successfully synthesized by the microwave-assisted urea method. The temperature of a single-phase product formation was 400 °C, which is lower compared to more common precipitation from aqueous solution methods or solid-state route. Ni1–xZnxFe2O4 materials demonstrate high saturation magnetization and low coercive force. The magnetization changes with increasing Zn concentration and reaches the maximum at x = 0.5. Also, the increase in zinc content leads to an increase in the lattice parameters. The average size of ferrite nanoparticles synthesized by the microwave-assisted urea method is smaller compared to ferrites synthesized earlier by the co-precipitation method. Also, lower treatment temperatures provide higher stoichiometry, and homogeneity of materials while magnetization difference is negligible. These research results provide a general and effective route to synthesize other nanostructures for a variety of microwave components.Keywords: Lattice constantmagnetic propertiesNiFe2O4zinc substitutionZnFe2O4 AcknowledgmentsThe authors express their gratitude to the Armed Forces of Ukraine for providing security to perform this work. This work has become possible only because of the resilience and courage of the Ukrainian Army. The Czech Group acknowledges financial support from the project of the Ministry of Education, Youth and Sports (LM 2018116). The authors are grateful to the Center of Mossbauer Spectroscopy at G. V. Kurdyumov Institute for Metal Physics of the National Academy of Sciences of Ukraine.Disclosure statementThe authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this article.Additional informationFundingThis work was supported in part by the NATO Science for Peace and Security Programme within the framework of the “3D Metamaterials for Energy Harvesting and Electromagnetic Sensing” project (ID SPS G6002).","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"43 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136160009","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Formation of polymerizable layer on a photo-alignment layer of liquid crystal cell and its image sticking characteristics","authors":"Masanobu Mizusaki","doi":"10.1080/15421406.2023.2274664","DOIUrl":"https://doi.org/10.1080/15421406.2023.2274664","url":null,"abstract":"AbstractThe effect for polymerizable layer on a vertical-type photo-alignment layer was investigated from the point of image sticking characteristics. Fabrication process of the polymerizable layer is followings; photo-alignment treatment is firstly carried out by exposing polarized ultraviolet (UV) from the oblique direction. After construction of the liquid crystal (LC) cell, the LC material including monomers is injected, and unpolarized UV is exposed for formation of the polymerizable layer. For avoiding pretilt angle shift during the exposure, fast rate constant of polymerization is necessary, and mixed monomers 4,4’-dimethacryloyl-oxy-biphenyl (4,4’-DMABiph) and 4,4’-dimethacryloyl-oxy-benzilketal (4,4’-DMABzk) are appropriate for obtaining small level of image sticking parameters. As the image sticking parameters, residual direct current voltage (VrDC) and difference in pretilt angle (Δtilt) before and after application of alternate current voltage were evaluated, and the results of VrDC and Δtilt indicated that 6% 4,4’-DMABzk in the mixed monomers 4,4’-DMABiph and 4,4’-DMABzk would be useful for obtaining the small level of image sticking.Keywords: liquid crystal cellphoto-alignment layerpolymerizable layermonomersimage sticking4,4’-dimethacryloyl-oxy-benzilketal (4,4’-DMABzk) Disclosure statementNo potential conflict of interest was reported by the authors.","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"4 3","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136262232","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and thermal-optical behaviors of non-conventional benzidine-based oligomers containing tetrasubstituted Schiff base arms","authors":"Nur Fatin Liyana Salwadi, Guan-Yeow Yeap, Shohei Yamazaki, Nanako Kimura, Daisuke Takeuchi","doi":"10.1080/15421406.2023.2266638","DOIUrl":"https://doi.org/10.1080/15421406.2023.2266638","url":null,"abstract":"AbstractNew benzidine-based oligomers containing four Schiff base arms with terminal alkoxy chains CnH2n+1 (n = 6–12) were characterized by elemental, spectroscopic (UV, FT-IR, and NMR) and DFT techniques. The thermal-optical behaviors were observed using differential calorimetry and polarized optical microscope. Upon heating the molecules with n = 8, 10, and 12 exhibited endothermic peaks characteristic of the crystal-soft crystal B transition in addition to crystal-crystal subphases. It can be generalized that all oligomers showed unusual curing temperature of which the compounds with odd alkoxy chain carbon numbers possess lower curing temperatures in comparison with the analogous compounds of even parity.Keywords: benzidine-based oligomerscuring temperatureDFT calculationgeometric structuresoft crystal B phasespectroscopic techniques Disclosure statementThere are no conflicts to declare.Additional informationFundingThe corresponding author (G.-Y. Yeap) would like to thank the Universiti Sains Malaysia for the RUI Grant No. 1001/PKIMIA/8011034. The DFT calculations were performed using Research Center for Computational Science, Okazaki, Japan (Project: 21-IMS-C059, 22-IMS-C059).","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"45 13 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135730018","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}