Advances in Molecular Relaxation and Interaction Processes最新文献

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Etude de la relaxation moleculaire des amines a travers la densite spectrale 通过光谱密度研究胺的分子松弛
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-04-01 DOI: 10.1016/0378-4487(82)80008-3
G. Vicq, A. Bottreau, J. F. A. Solsona, J. Fornies-Marquina
{"title":"Etude de la relaxation moleculaire des amines a travers la densite spectrale","authors":"G. Vicq, A. Bottreau, J. F. A. Solsona, J. Fornies-Marquina","doi":"10.1016/0378-4487(82)80008-3","DOIUrl":"https://doi.org/10.1016/0378-4487(82)80008-3","url":null,"abstract":"","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"68 1","pages":"233-243"},"PeriodicalIF":0.0,"publicationDate":"1982-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84592760","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dielectric relaxation of nitroalkanes in dilute solutions 稀溶液中硝基烷烃的介电弛豫
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-03-01 DOI: 10.1016/0378-4487(82)80004-6
B. Singh, J.K. Vij
{"title":"Dielectric relaxation of nitroalkanes in dilute solutions","authors":"B. Singh,&nbsp;J.K. Vij","doi":"10.1016/0378-4487(82)80004-6","DOIUrl":"10.1016/0378-4487(82)80004-6","url":null,"abstract":"<div><p>The relative permittivity at frequencies of 10kHz and 10GHz and the refractive indices have been measured for dilute solutions of (a) nitroethane, (b) 1-nitropropane, (c) 2-nitropropane, and (d) 1-nitrobutane in cyclohexane at 10°, 20°, 30° and 40°C. Materials (b) and (c) together with (e)2-nitro 1-propanol and (f) 2-nitro-l-butanol, have also been studied in different nonpolar solvents. The electric dipole moments, the dielectric relaxation times, and the molar activation energy parameters have been calculated. The results for nitroalcohols show the existence of internal hydrogen bonding between the hydroxyl group and an oxygen atom of the nitro group. The plots of log τ versus log η for materials (b) and (c) are linear for the solvents n-heptane, cyclohexane and decalin. The possibility of interaction of these materials with p-xylene, carbon tetrachloride and p-dioxane are discussed. Activation enthalpy (ΔH<sub>ε</sub>) of these materials is observed to be higher in dilute solutions than in pure liquids, and also ΔH<sub>ε</sub> for nitrobutane is significantly lower than for the other materials.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"22 3","pages":"Pages 177-186"},"PeriodicalIF":0.0,"publicationDate":"1982-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80004-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88436582","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
Dielectric relaxation in propionic acid-tri-n-butylamine system 丙酸-三正丁胺体系的介电弛豫
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-03-01 DOI: 10.1016/0378-4487(82)80002-2
M. Pajdowska, L. Sobczyk
{"title":"Dielectric relaxation in propionic acid-tri-n-butylamine system","authors":"M. Pajdowska,&nbsp;L. Sobczyk","doi":"10.1016/0378-4487(82)80002-2","DOIUrl":"10.1016/0378-4487(82)80002-2","url":null,"abstract":"<div><p>The complex electric permittivity and viscosity over the frequency range 100 MHz-2GHz have been measured for the propionic acid- tri-n-butylamine systems of varying composition. Both, the value of the relaxation time and its distribution indicate a remarkable aggregation especially for 1:1 species.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"22 3","pages":"Pages 159-165"},"PeriodicalIF":0.0,"publicationDate":"1982-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80002-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82601572","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
Orientational order parameter S2 of some 4-cyano-4′, n-alkylbiphenyl and 4-cyano-4′ ,n-alkoxybiphenyls 一些4-氰基-4′,正烷基联苯和4-氰基-4′,正烷氧基联苯的取向序参数S2
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-03-01 DOI: 10.1016/0378-4487(82)80001-0
N. Kirov, M. Sabeva, H. Ratajczak
{"title":"Orientational order parameter S2 of some 4-cyano-4′, n-alkylbiphenyl and 4-cyano-4′ ,n-alkoxybiphenyls","authors":"N. Kirov,&nbsp;M. Sabeva,&nbsp;H. Ratajczak","doi":"10.1016/0378-4487(82)80001-0","DOIUrl":"10.1016/0378-4487(82)80001-0","url":null,"abstract":"<div><p>The orientational order parameter S<sub>2</sub> for homeotropic and homogeneous 4-cyano-4′-alkyl and alkoxybiphenyls was calculated and its temperature dependence in smectic A and nematic phase was studied.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"22 3","pages":"Pages 145-158"},"PeriodicalIF":0.0,"publicationDate":"1982-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80001-0","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86399171","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
Thermodynamics and vibrational dynamics of tetrachloromethane, benzene, and cyclohexane 四氯甲烷、苯和环己烷的热力学和振动动力学
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-03-01 DOI: 10.1016/0378-4487(82)80005-8
Augustinus Asenbaum, Emmerich Wilhelm
{"title":"Thermodynamics and vibrational dynamics of tetrachloromethane, benzene, and cyclohexane","authors":"Augustinus Asenbaum,&nbsp;Emmerich Wilhelm","doi":"10.1016/0378-4487(82)80005-8","DOIUrl":"10.1016/0378-4487(82)80005-8","url":null,"abstract":"<div><p>From Brillouin spectra of tetrachloromethane, benzene and cyclohexane measured between 283.15 K and 343.15 K, and carefully re-evaluated data for the heat capacities at constant pressure C<sub>P</sub>, and constant volume C<sub>V</sub>, the vibrational contribution to C<sub>V</sub> was determined and compared with calculated values obtained from the Planck-Einstein relation. Utilizing perfect gas state heat capacity data, the residual heat capacity C<sub>V</sub><sup>*</sup> wa determined and subsequently used to present an estimate for the residual rotational heat capacity (external rotation).</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"22 3","pages":"Pages 187-198"},"PeriodicalIF":0.0,"publicationDate":"1982-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80005-8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81699525","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 8
Spectroscopic studies on proton transfer and hydrogen bonding in p-nitrophenol-donor systems 对硝基苯酚供体体系中质子转移和氢键的光谱研究
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-03-01 DOI: 10.1016/0378-4487(82)80006-X
A.S.N. Murthy, A. Ram Reddy
{"title":"Spectroscopic studies on proton transfer and hydrogen bonding in p-nitrophenol-donor systems","authors":"A.S.N. Murthy,&nbsp;A. Ram Reddy","doi":"10.1016/0378-4487(82)80006-X","DOIUrl":"10.1016/0378-4487(82)80006-X","url":null,"abstract":"<div><p>The interaction of p-nitrophenol with several electron-donors has been studied in aprotic and protic solvents by electronic absorption spectroscopy. The equilibrium data for different kinds of equilibria in 1,2-dichloroethane, n-butanol and acetonitrile have been obtained and discussed. The strong hydrogen bonding interaction between p-nitrophenol and a variety of electron donors has been investigated in heptane by electronic absorption spectroscopy. The interesting correlations obtained in terms of Mulliken's charge transfer model have been examined and extended in many cases.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"22 3","pages":"Pages 199-221"},"PeriodicalIF":0.0,"publicationDate":"1982-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80006-X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83193787","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
Dielectric absorption and molecular dynamics of formyl-, carboxyl-, and 1,1′-dichloro-ferrocene 甲酰基、羧基和1,1′-二氯二茂铁的介电吸收和分子动力学
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-03-01 DOI: 10.1016/0378-4487(82)80003-4
E. Jakusek, H.A. Kołodziej, M. Rozpenk, S. Sorriso ∗
{"title":"Dielectric absorption and molecular dynamics of formyl-, carboxyl-, and 1,1′-dichloro-ferrocene","authors":"E. Jakusek,&nbsp;H.A. Kołodziej,&nbsp;M. Rozpenk,&nbsp;S. Sorriso ∗","doi":"10.1016/0378-4487(82)80003-4","DOIUrl":"10.1016/0378-4487(82)80003-4","url":null,"abstract":"<div><p>Dielectric spectra of formyl-, carboxyl-, and 1,1′-dichloro-ferrocene have been examined in benzene in the frequency range of 100 MHz-26 GHz, at various temperatures. In these conditions only one clear dielectric absorption band has been observed and a Debye-type behaviour has been found. Calculation of the macroscopic dielectric relaxation times and the thermodynamic parameters has also been performed. All evidence seems to suggest a type of mechanism for dielectric relaxation, even if at the present stage of research it might be prudent not to indicate a definitive model for the molecular dynamics itself of these compounds.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"22 3","pages":"Pages 167-176"},"PeriodicalIF":0.0,"publicationDate":"1982-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80003-4","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86565777","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
Molecular dynamics of CH2Cl2: temperature dependences of the far infra-red spectrum. Part 1: experimental and simulation CH2Cl2的分子动力学:远红外光谱的温度依赖性。第1部分:实验和模拟
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-02-01 DOI: 10.1016/0378-4487(82)80036-8
J.K. Vij, C.J. Reid, G.J. Evans, M. Ferrario, M.W. Evans
{"title":"Molecular dynamics of CH2Cl2: temperature dependences of the far infra-red spectrum. Part 1: experimental and simulation","authors":"J.K. Vij,&nbsp;C.J. Reid,&nbsp;G.J. Evans,&nbsp;M. Ferrario,&nbsp;M.W. Evans","doi":"10.1016/0378-4487(82)80036-8","DOIUrl":"10.1016/0378-4487(82)80036-8","url":null,"abstract":"<div><p>The temperature dependence of the rotational diffusion in liquid CH<sub>2</sub>Cl<sub>2</sub> has been measured in the far infrared from 10 to 220 cm<sup>−1</sup> and 177K to 313K (f.p. to b.p. at 1bar). The results are interpreted at 177K and 293K with a molecular dynamics simulation using a 5 × 5 atom-atom potential with charge-charge electrodynamics. The simulation reproduces the basic features of the spectra but some experimental detail of the dependency of <figure><img></figure><sub>max</sub>, the far infrared peak frequency, on temperature is not followed by the simulation. The situation can be improved by accurately measuring the second dielectric virial coefficient β<sub>ϵ</sub> of CH<sub>2</sub>Cl<sub>2</sub> vapour in order to improve our knowledge of the intermolecular pair potential.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"22 2","pages":"Pages 79-87"},"PeriodicalIF":0.0,"publicationDate":"1982-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80036-8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89726739","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
Ab initio study of the pair potentials and electric dipole moments of the ArHe and NeHe diatoms ArHe和NeHe硅藻对势和电偶极矩的从头算研究
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-02-01 DOI: 10.1016/0378-4487(82)80041-1
Julian H.H. Clarke, Alan Hinchliffe
{"title":"Ab initio study of the pair potentials and electric dipole moments of the ArHe and NeHe diatoms","authors":"Julian H.H. Clarke,&nbsp;Alan Hinchliffe","doi":"10.1016/0378-4487(82)80041-1","DOIUrl":"10.1016/0378-4487(82)80041-1","url":null,"abstract":"<div><p>Large basis set <span><math><mtext>Ab</mtext></math></span> <span><math><mtext>Initio</mtext></math></span> calculations are reported for the variation of energy and electric dipole moment with internuclear separation for the diatoms ArHe and NeHe. Electron correlation effects are treated explicitly by the self consistent electron pairs method, and are found to be large. The effect of basis set superposition is examined, and found to be significant. Calculated potential well depths D<sub>e</sub> and equilibrium internuclear separation R<sub>e</sub> compare with the ε<sub>m</sub> and R<sub>m</sub> values found by fitting various experimental data. The electric dipole moment p<sub>e</sub> for the ArHe diatom at distances ≈ RI<sub>e</sub> is larger than that for the NeHe diatom, in accordance with the fact that the full collision induced absorption spectrum has been observed experimentally only for the latter. The variation of p<sub>e</sub> with R shows fine structure at R ≈ R<sub>e</sub> not previously reported.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"22 2","pages":"Pages 133-143"},"PeriodicalIF":0.0,"publicationDate":"1982-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80041-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88737873","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Collision complexes between purines and phenylalanine: a 1H NMR study. 嘌呤和苯丙氨酸之间的碰撞配合物:1H NMR研究。
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-02-01 DOI: 10.1016/0378-4487(82)80039-3
A. Pastore, P.A. Temussi
{"title":"Collision complexes between purines and phenylalanine: a 1H NMR study.","authors":"A. Pastore,&nbsp;P.A. Temussi","doi":"10.1016/0378-4487(82)80039-3","DOIUrl":"10.1016/0378-4487(82)80039-3","url":null,"abstract":"<div><p>Addition of increasing amounts of phenylalanine in dilute aqueous solutions of adenine, theophilline, theobromine, caffeine and tetramethyluric acid induces proton chemical shift changes that can be interpreted on the basis of the existence of 1:1 complexes. Their formation quotients are comparable to those of the analogous complexes formed by purines with benzene in apolar solvents. Differences among formation quotients of a given complex, extracted from different nuclei of the purine, hint that 1:2 or higher complexes may be present, but the extremely narrow concentration range accessible for the donor compound prevents an accurate numerical analysis of these equilibria.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"22 2","pages":"Pages 109-119"},"PeriodicalIF":0.0,"publicationDate":"1982-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80039-3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87080201","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
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