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IR absorption spectra of nematic liquid crystals oriented by an external a.c. electric field 外交流电场定向向列液晶的红外吸收光谱
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-06-01 DOI: 10.1016/0378-4487(82)80068-X
N. Kirov, P. Simova, H. Ratajczak
{"title":"IR absorption spectra of nematic liquid crystals oriented by an external a.c. electric field","authors":"N. Kirov,&nbsp;P. Simova,&nbsp;H. Ratajczak","doi":"10.1016/0378-4487(82)80068-X","DOIUrl":"10.1016/0378-4487(82)80068-X","url":null,"abstract":"<div><p>The influence of a.c. electric field (5kHz) on the IR and FIR spectra of the nematic phase of some liquid crystals with strong positive dielectric anisotropy ( ε<sub>a</sub>≈ 10 – 20) and weak negative dielectric anisotropy(ε<sub>a</sub>≈ −0,2 – 0,7) was investigated. The changes in the half-widths and integral intensity are explained by means of the changes in the molecular orientation due to the electric field influence.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"23 2","pages":"Pages 125-142"},"PeriodicalIF":0.0,"publicationDate":"1982-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80068-X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74396207","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
Methodes d'analyse complement aires de spectres de relaxation dielectrique obtenus par spectroscopie temporelle II - etude de melanges binaires propanol-decanol 用时间光谱学获得的介电松弛谱的补充区域-二元丙醇-癸醇混合物的研究
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-06-01 DOI: 10.1016/0378-4487(82)80065-4
Y. Dutuit, J.L. Salefran, A.M. Bottreau, R. Chahine, T.K. Bose
{"title":"Methodes d'analyse complement aires de spectres de relaxation dielectrique obtenus par spectroscopie temporelle II - etude de melanges binaires propanol-decanol","authors":"Y. Dutuit,&nbsp;J.L. Salefran,&nbsp;A.M. Bottreau,&nbsp;R. Chahine,&nbsp;T.K. Bose","doi":"10.1016/0378-4487(82)80065-4","DOIUrl":"10.1016/0378-4487(82)80065-4","url":null,"abstract":"<div><p>The basis of the method has been presented in part I (preceeding paper in this issue) together with the results on propanol, pentanol and decanol at 25°C. This second part is devoted to propanol-decanol mixtures in several fractions in volume and concludes with a general discussion where the molecular mechanisms responsible for the three dielectric dispersion regions of the pure primary alcohols are pointed out.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"23 2","pages":"Pages 97-112"},"PeriodicalIF":0.0,"publicationDate":"1982-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80065-4","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86851498","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
Hydrogen bonding in cyclopropane…HX (X = F, Cl): an ab initio SCF-MO study 环丙烷HX (X = F, Cl)中的氢键:从头算SCF-MO研究
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-06-01 DOI: 10.1016/0378-4487(82)80067-8
Alan Hinchliffe
{"title":"Hydrogen bonding in cyclopropane…HX (X = F, Cl): an ab initio SCF-MO study","authors":"Alan Hinchliffe","doi":"10.1016/0378-4487(82)80067-8","DOIUrl":"10.1016/0378-4487(82)80067-8","url":null,"abstract":"<div><p>SCF-MO results using a large gaussian sp-basis set are given for the hydrogen-bonded complexes of cyclopropane with HF and HCl. The complexes are calculated to have edge-on geometry, as found experimentally. Well depths, Mulliken population indices and one-electron properties are given for the complexes.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"23 2","pages":"Pages 119-123"},"PeriodicalIF":0.0,"publicationDate":"1982-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80067-8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87064081","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
Methodes d'analyse complementaires de spectres de relaxation dielectrique obtenus par spectroscopie temporelle. I - principe et etude de quelques alcools normaux 用时间光谱学获得的介电弛豫谱的补充分析方法。一些正常酒精的原理和研究
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-06-01 DOI: 10.1016/0378-4487(82)80064-2
Yves Dutuit, Jean Louis Salefran, André Marie Bottreau, Richard Chahine, Tapan K. Bose
{"title":"Methodes d'analyse complementaires de spectres de relaxation dielectrique obtenus par spectroscopie temporelle. I - principe et etude de quelques alcools normaux","authors":"Yves Dutuit,&nbsp;Jean Louis Salefran,&nbsp;André Marie Bottreau,&nbsp;Richard Chahine,&nbsp;Tapan K. Bose","doi":"10.1016/0378-4487(82)80064-2","DOIUrl":"10.1016/0378-4487(82)80064-2","url":null,"abstract":"<div><p>To analyse the dielectric relaxation spectra of some pure normal alcohols and their binary mixtures, the experimental time domain techniques (T.D.S.) in conjunction with a deconvolution procedure combined with powerful numerical minimization methods are shown to be useful.</p><p>The results on propanol, pentanol and decanol at 25°C are given. Those concerning propanol-decanol mixtures will be presented in the next paper with a general discussion in conclusion.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"23 2","pages":"Pages 75-95"},"PeriodicalIF":0.0,"publicationDate":"1982-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80064-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73671745","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
Reversible photoisomerizations of sulfonephthalein indicator dyes II 磺苯酞指示染料的可逆光异构化II
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-05-01 DOI: 10.1016/0378-4487(82)80022-8
U.-W. Grummt
{"title":"Reversible photoisomerizations of sulfonephthalein indicator dyes II","authors":"U.-W. Grummt","doi":"10.1016/0378-4487(82)80022-8","DOIUrl":"https://doi.org/10.1016/0378-4487(82)80022-8","url":null,"abstract":"<div><p>Experimental results of a flash photolysis study of bromo cresol green and thymol blue are presented. They give further support to the recently proposed complex mechanism: A photoinduced rotational isomerization is followed by two consecutive proton transfer reactions and, occasionally, by an intermediate sultone ring closure.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"23 1","pages":"Pages 15-26"},"PeriodicalIF":0.0,"publicationDate":"1982-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80022-8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136587870","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
Electrostatic molecular potential analysis of electron density distribution in Me3N·AlH3 and Me3N·AlCl3 Me3N·AlH3和Me3N·AlCl3中电子密度分布的静电分子势分析
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-05-01 DOI: 10.1016/0378-4487(82)80024-1
A. Okniński, S. Pasynkiewicz, S. Dzierzgowski
{"title":"Electrostatic molecular potential analysis of electron density distribution in Me3N·AlH3 and Me3N·AlCl3","authors":"A. Okniński,&nbsp;S. Pasynkiewicz,&nbsp;S. Dzierzgowski","doi":"10.1016/0378-4487(82)80024-1","DOIUrl":"10.1016/0378-4487(82)80024-1","url":null,"abstract":"<div><p>Electrostatic molecular potential approach is used to determine reaction channels for Me<sub>3</sub>N·AlH<sub>3</sub> and Me<sub>3</sub>N·AlCl<sub>3</sub>. Predictions concerning reactivity of these complexes are formulated.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"23 1","pages":"Pages 37-43"},"PeriodicalIF":0.0,"publicationDate":"1982-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80024-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90862323","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
Effets de la liaison hydrogene sur les vibrations ν(CH) et ν(OH) dans les complexes X-H…O(H)CH(CD3)2 氢键对X-H配合物ν(CH)和ν(OH)振动的影响
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-05-01 DOI: 10.1016/0378-4487(82)80021-6
J.P. Gallas, C. Binet
{"title":"Effets de la liaison hydrogene sur les vibrations ν(CH) et ν(OH) dans les complexes X-H…O(H)CH(CD3)2","authors":"J.P. Gallas,&nbsp;C. Binet","doi":"10.1016/0378-4487(82)80021-6","DOIUrl":"10.1016/0378-4487(82)80021-6","url":null,"abstract":"<div><p>When the complex X-H…O(H)CH(CD<sub>3</sub>)<sub>2</sub> in a carbon tetrachloride solution is formed between a proton donor XH and isopropanol(D<sub>6</sub>), we observe for the ν(CH) wavenumber of isopropanol(D<sub>6</sub>) an increase of about 15 to 45 cm<sup>−1</sup> which depends on the proton donor ability of XH ; we also observe a decrease for the ν(OH) wavenumber of about 13 to 21 cm<sup>−1</sup>. The ν(OH) anharmonicity is unchanged. When the CH group is at a greater distance from the hydroxyl group [in the (CF<sub>3</sub>)<sub>3</sub>COH…O(H)CD<sub>2</sub>CD<sub>2</sub>H complex] the increase for <span><math><mtext>ν</mtext></math></span>(CH) is only 3 cm<sup>−1</sup>. The ν(OH) wavenumber for the free hydroxyl group in the homomolecular linear dimer of isopropanol(D<sub>6</sub>) is 5 cm<sup>−1</sup> lower than the observed value for the monomer. The intensity of the ν(CH) band generally decreases in the complexation, that of the ν(OH) band is slightly modified, or increases when the proton donor is perfluorotertiobutanol.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"23 1","pages":"Pages 1-13"},"PeriodicalIF":0.0,"publicationDate":"1982-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80021-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89066897","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
On the role of solvent in formation and relaxation of molecular exciplex 溶剂在分子异构体形成和松弛中的作用
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-05-01 DOI: 10.1016/0378-4487(82)80025-3
I. Deperasińska, E. Gaweda, M. Mandziuk, J. Prochorow
{"title":"On the role of solvent in formation and relaxation of molecular exciplex","authors":"I. Deperasińska,&nbsp;E. Gaweda,&nbsp;M. Mandziuk,&nbsp;J. Prochorow","doi":"10.1016/0378-4487(82)80025-3","DOIUrl":"10.1016/0378-4487(82)80025-3","url":null,"abstract":"<div><p>The processes of formation and of relaxation of molecular exciplex in solution are discussed in the framework of method which incorporates solvent parameters into calculations of potential energy curves of different states attainable by exciplex system. An analysis of the results of calculations shows that intramolecular vibrations are serving as acceptors for energy dissipated by the system in the formation process and that this accepting ability can be modified by solvent polarity. It is also shown that the most important role is played by solvent in the relaxation of encounter complex to “equilibrium” exciplex.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"23 1","pages":"Pages 45-67"},"PeriodicalIF":0.0,"publicationDate":"1982-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80025-3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80438472","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
The correlation of molecular rotational and translational kinetic energy in liquid CH2Cl2 and CHCl3 液体CH2Cl2和CHCl3分子旋转与平动动能的关系
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-05-01 DOI: 10.1016/0378-4487(82)80026-5
M.W. Evans, M. Ferrario
{"title":"The correlation of molecular rotational and translational kinetic energy in liquid CH2Cl2 and CHCl3","authors":"M.W. Evans,&nbsp;M. Ferrario","doi":"10.1016/0378-4487(82)80026-5","DOIUrl":"10.1016/0378-4487(82)80026-5","url":null,"abstract":"<div><p>A “molecular dynamics” computer simulation of liquid CH<sub>2</sub>Cl<sub>2</sub> and CHCl<sub>3</sub> has revealed a time dependence of the simple kinetic energy correlation function 〈v<sup>2</sup>(O)J<sup>2</sup>(t)〉/(〈v<sup>2</sup>(O)〉〈J<sup>2</sup>(O)〉) where <span><math><mtext>v</mtext></math></span> is the c. of m. linear velocity and <span><math><mtext>J</mtext></math></span> the molecular <span><math><mtext>angular</mtext></math></span> momentum. This is constant at unity for all t in conventional analytical theory, which is therefore in need of development. The variates <span><math><mtext>v</mtext></math></span> and <span><math><mtext>J</mtext></math></span> are not Gaussian during the approach to equilibrium.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"23 1","pages":"Pages 69-73"},"PeriodicalIF":0.0,"publicationDate":"1982-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80026-5","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80455850","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
A hydrogen-bonded system in a liquefied noble gas as an underdamped anharmonic stochastic oscillator 液化气中的氢键系统作为欠阻尼非谐随机振荡器
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-05-01 DOI: 10.1016/0378-4487(82)80023-X
N.N. Gadzhieva, T.A. Iskanderov, Ya.M. Kimel'fel'd
{"title":"A hydrogen-bonded system in a liquefied noble gas as an underdamped anharmonic stochastic oscillator","authors":"N.N. Gadzhieva,&nbsp;T.A. Iskanderov,&nbsp;Ya.M. Kimel'fel'd","doi":"10.1016/0378-4487(82)80023-X","DOIUrl":"10.1016/0378-4487(82)80023-X","url":null,"abstract":"<div><p>IR spectra of HCl complexes with acetonitrile, olefins have been studied and also for the comparison of methanol polymers in solutions of liquefied Xe, Kr, Ar and N<sub>2</sub>.</p><p>The half-width of the band for HCl complexed with acetonitrile in liquid Kr is 35 cm<sup>−1</sup> at 165 K; this is half of that value in Xe at the same temperature and an order of magnitude lower than in standard solvents. Temperature narrowing of this band down to 30 cm<sup>−1</sup> has been found on cooling the solution to 120 K. The temperature shift of HCl bands in complexes of moderate strength not referring to self-association was observed. The results obtained are in agreement with the representation of a hydrogen-bonded system as an underdamped ahnarmonic stochastic oscillator.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":"23 1","pages":"Pages 27-36"},"PeriodicalIF":0.0,"publicationDate":"1982-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80023-X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76039106","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
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