Molecular Crystals and Liquid Crystals最新文献

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Sorption-luminescence method for determination of ytterbium 吸附发光法测定镱
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2023-09-07 DOI: 10.1080/15421406.2023.2253606
O. Stashkiv, Volodymyr Vasylechko, Roman Gamernyk, Yaroslav Kalychak
{"title":"Sorption-luminescence method for determination of ytterbium","authors":"O. Stashkiv, Volodymyr Vasylechko, Roman Gamernyk, Yaroslav Kalychak","doi":"10.1080/15421406.2023.2253606","DOIUrl":"https://doi.org/10.1080/15421406.2023.2253606","url":null,"abstract":"Yb(III) ions, complexed with some organic ligands, exhibit intense luminescence. The light energy is absorbed by the organic part of the molecule of the complex, then there is an intramolecular energy transfer from the organic ligand to the Yb(III) ion. During the sorption of Yb(III) on the solid matrix, the intermolecular energy transfer is suppressed, which provides the increase of the luminescence intensity, and the effect of selective preconcentration is achieved. Promising materials for solid-phase spectrofluorimetry are natural zeolites. Sorbed Yb(III) on these natural nanomaterials retains the ability to interact with organic ligands. In order to develop a sorption-luminescent method for the determination of Yb, the ability to luminescence of Yb(III) ions sorbed on natural Transcarpathian clinoptilolite in combination with 1-(2-pyridylazo)-2-naphthol (PAN) was studied. Luminescence composition «clinoptilolite-Yb(III)-PAN» is observed in the IR region of the spectrum with a maximum λ=978 nm. Luminophore samples were excited by a laser with λ=532 nm. The optimal conditions for obtaining this luminophor have been found. To prepare an effective luminophor «clinoptilolite-Yb(III)-PAN» it is necessary to use precalcined at 300 о C samples of clinoplololite, heated at 50 о C samples «clinoptilolite-Yb(III)», and the final luminophor heated at 50 о C. Sorption of Yb(III) on clinoptilolite is carried out from weakly alkaline solutions at pH 9.0. The developed sorption-luminescent method allows to determine Yb in the presence of 10-fold excess of La(III) and Eu(III), as well as 5-fold excess of Lu(III), Tm(III), Gd(III), Pr(III), Tb(III) with a detection limit of 5.0 ng·mL -1 . The method is tested on model solutions and intermetallics. The method provides a high enrichment factor, a wide concentration range of Yb determination (12.5-1000 ng·mL -1 ).","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"44 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90380059","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}
引用次数: 0
Optical absorption in core–shell quantum antidot with donor impurity under applied co-directed electric and magnetic fields 外加共向电场和磁场作用下含给体杂质核壳量子反点的光吸收
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2023-09-06 DOI: 10.1080/15421406.2023.2253609
M. Chubrei, V. Holovatsky, N. Holovatska
{"title":"Optical absorption in core–shell quantum antidot with donor impurity under applied co-directed electric and magnetic fields","authors":"M. Chubrei, V. Holovatsky, N. Holovatska","doi":"10.1080/15421406.2023.2253609","DOIUrl":"https://doi.org/10.1080/15421406.2023.2253609","url":null,"abstract":"","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"490 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77053114","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}
引用次数: 0
Theory of phase transitions in the assembly of biaxial molecules interacting via dispersion forces II: on phase transitions of flexible molecules 通过色散力相互作用的双轴分子组装中的相变理论II:柔性分子的相变
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2023-09-05 DOI: 10.1080/15421406.2023.2235189
Masahito Hosino
{"title":"Theory of phase transitions in the assembly of biaxial molecules interacting via dispersion forces II: on phase transitions of flexible molecules","authors":"Masahito Hosino","doi":"10.1080/15421406.2023.2235189","DOIUrl":"https://doi.org/10.1080/15421406.2023.2235189","url":null,"abstract":"","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"17 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80131191","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}
引用次数: 0
Structurally dependent electroconductivity properties of ultrafine composites α-FeOOH/α-Fe2O3 α-FeOOH/α-Fe2O3超细复合材料导电性能的结构依赖性
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2023-09-04 DOI: 10.1080/15421406.2023.2253605
A. Hrubiak, B. Ostafiychuk, M. I. Gasiuk, B. B. Onyskiv, I. M. Gasiuk, V. Bushkova
{"title":"Structurally dependent electroconductivity properties of ultrafine composites α-FeOOH/α-Fe2O3","authors":"A. Hrubiak, B. Ostafiychuk, M. I. Gasiuk, B. B. Onyskiv, I. M. Gasiuk, V. Bushkova","doi":"10.1080/15421406.2023.2253605","DOIUrl":"https://doi.org/10.1080/15421406.2023.2253605","url":null,"abstract":"","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"1 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91302856","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}
引用次数: 0
A di-iron toluene-3,4-dithioate complex with monosubstituted 1,1′-bis(diphenylphosphino)ferrocene: preparation, characterization, and electrochemistry 二铁甲苯-3,4-二硫酸盐配合物与单取代的1,1 ' -双(二苯基膦)二茂铁:制备、表征和电化学
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2023-08-23 DOI: 10.1080/15421406.2023.2249652
Xu‐Feng Liu, Yulong Li
{"title":"A di-iron toluene-3,4-dithioate complex with monosubstituted 1,1′-bis(diphenylphosphino)ferrocene: preparation, characterization, and electrochemistry","authors":"Xu‐Feng Liu, Yulong Li","doi":"10.1080/15421406.2023.2249652","DOIUrl":"https://doi.org/10.1080/15421406.2023.2249652","url":null,"abstract":"","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"44 15 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81891561","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}
引用次数: 0
The influence of pressure on the spin-polarized electronic structure of ZnSeTe:T (Т=Cr, Mn, Fe) doped solid solution 压力对ZnSeTe:T (Т=Cr, Mn, Fe)掺杂固溶体自旋极化电子结构的影响
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2023-08-23 DOI: 10.1080/15421406.2023.2238995
S. Syrotyuk, O. Malyk, Y. Klysko
{"title":"The influence of pressure on the spin-polarized electronic structure of ZnSeTe:T (Т=Cr, Mn, Fe) doped solid solution","authors":"S. Syrotyuk, O. Malyk, Y. Klysko","doi":"10.1080/15421406.2023.2238995","DOIUrl":"https://doi.org/10.1080/15421406.2023.2238995","url":null,"abstract":"Abstract The electronic and magnetic properties of the solid solutions of ZnSeTe, in which the Zn atom is replaced by the transition 3d element Cr, Mn, or Fe, were calculated for 64-atom supercells. The shift of the Fermi level toward the valence band states due to pressure was revealed. It was established that at pressures p = 0 and p = 33 GPa, for both spin orientations, the ZnCrSeTe material is a semimetal, and the ZnMnSeTe material is a semiconductor. However, the ZnFeSeTe material is a semimetal at a pressure of p = 0 and a non-magnetic metal at a pressure of p = 33 GPa.","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"83 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77246969","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}
引用次数: 0
Variations of the initial charge composition and photodielectric effect in PbMoO4 single crystals PbMoO4单晶中初始电荷组成的变化和光介电效应
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2023-08-17 DOI: 10.1080/15421406.2023.2245669
T. M. Bochkova, M. Trubitsyn, M. Volnianskii, D. M. Volnyanskiĭ
{"title":"Variations of the initial charge composition and photodielectric effect in PbMoO4 single crystals","authors":"T. M. Bochkova, M. Trubitsyn, M. Volnianskii, D. M. Volnyanskiĭ","doi":"10.1080/15421406.2023.2245669","DOIUrl":"https://doi.org/10.1080/15421406.2023.2245669","url":null,"abstract":"","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"43 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82680128","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}
引用次数: 0
Synthesis, structural characterization by experimental and theoretical approaches of a new hydrazine derivative Schiff base compound 一种新型联胺衍生物席夫碱化合物的合成、实验及理论表征
4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2023-08-17 DOI: 10.1080/15421406.2023.2245648
Gonca Özdemir Tarı
{"title":"Synthesis, structural characterization by experimental and theoretical approaches of a new hydrazine derivative Schiff base compound","authors":"Gonca Özdemir Tarı","doi":"10.1080/15421406.2023.2245648","DOIUrl":"https://doi.org/10.1080/15421406.2023.2245648","url":null,"abstract":"AbstractIn this work, 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene))bis(3,4-dimethoxyphenol), C18H20N2O6, which is a new symmetrical hydrazine derivative Schiff base compound was synthesized and characterized by elemental analysis, such as FT-IR and Raman, UV-Vis, NMR (1H and 13C) spectroscopies. In addition, the title compound’s thermal behavior was analyzed using TG/DTA techniques. The structure was determined by the X-ray diffraction (XRD) technique performed on a single crystal. Besides, computational methods were performed with the Density Functional Theory (DFT)/B3LYP method using the 6-311++G(d,p) basis set. The UV-Vis, chemical shifts for NMR, harmonic vibrational frequencies, infrared intensities, and Raman scattering activities in the ground state were performed same levels of theory. Intra- and inter-molecular interactions were determined using HS analysis. On the other hand, nucleophilic and electrophilic interactions were investigated using MEP and Fukui analysis. The experimental and computational results were compared comprehensively. To be able to examine the binding pattern of the compound with the PDB ID: 3BPF inhibitor targets were determined computationally by molecular docking studies. And also, HOMO and LUMO analysis, Mulliken and natural charge analysis, thermodynamic and non-linear optical properties were determined.Keywords: Density functional theoryHirshfeld surface analysishydrazine derivative Schiff basemolecular docking AcknowledgmentsI acknowledge to Scientific and Technological Research Application and Research Center, Sinop University, Turkey, for the use of the Bruker D8 QUEST diffractometer. I gratefully acknowledge the Eskisehir Osmangazi University, Central Research Laboratory Application and Research Center (ARUM) for the use of FT-IR and Raman spectroscopies, and the Mersin University, Advanced Technology Education Research and Application Center (MEITAM) for the use of NMR spectroscopy. I gratefully Dr. Seher Meral, Department of Chemistry, Faculty of Arts and Science, Ondokuz Mayıs University for her sincere help in the synthesis of the compound.","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"7 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136272592","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}
引用次数: 0
Nanocatalyst for carbon monoxide oxidation based on palladium(II), copper(II) salts, and carbon fiber material 基于钯(II),铜(II)盐和碳纤维材料的一氧化碳氧化纳米催化剂
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2023-08-12 DOI: 10.1080/15421406.2023.2235867
T. Kiose, T. Rakitskaya, A. Truba
{"title":"Nanocatalyst for carbon monoxide oxidation based on palladium(II), copper(II) salts, and carbon fiber material","authors":"T. Kiose, T. Rakitskaya, A. Truba","doi":"10.1080/15421406.2023.2235867","DOIUrl":"https://doi.org/10.1080/15421406.2023.2235867","url":null,"abstract":"","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"44 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74272349","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}
引用次数: 0
Length dependent thermal conductivity of silicon and copper nanowire: a molecular dynamics study 硅和铜纳米线的长度相关热导率:分子动力学研究
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2023-08-08 DOI: 10.1080/15421406.2023.2243691
Nurul Ahad Akil
{"title":"Length dependent thermal conductivity of silicon and copper nanowire: a molecular dynamics study","authors":"Nurul Ahad Akil","doi":"10.1080/15421406.2023.2243691","DOIUrl":"https://doi.org/10.1080/15421406.2023.2243691","url":null,"abstract":"","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"28 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79245000","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}
引用次数: 0
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