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Advances in Molecular Relaxation and Interaction Processes最新文献

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Linear and nonlinear (CARS) raman spectroscopic investigations of cyanine dyes 菁染料的线性和非线性(CARS)拉曼光谱研究
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-09-01 DOI: 10.1016/0378-4487(82)80073-3
A. Lau , K. Kneipp , W. Werncke , K. Lenz , H.-J. Weigmann , D. Fassler , G. Hinzmann
{"title":"Linear and nonlinear (CARS) raman spectroscopic investigations of cyanine dyes","authors":"A. Lau ,&nbsp;K. Kneipp ,&nbsp;W. Werncke ,&nbsp;K. Lenz ,&nbsp;H.-J. Weigmann ,&nbsp;D. Fassler ,&nbsp;G. Hinzmann","doi":"10.1016/0378-4487(82)80073-3","DOIUrl":"10.1016/0378-4487(82)80073-3","url":null,"abstract":"<div><p>The methanolic and methanolic aqueous or aqueous solutions of the first three representatives of the homologeous series of 3,3′-diethyl-2,2′ benzthiacyanines exhibiting an increasing dimerisation with an increasing amount of water in the solvent have been investigated by spontaneous Raman scattering and CARS with different optimum excitation frequencies. Within the accuracy of our experiments (<sup>+</sup>−10 cm<sup>−1</sup>) there are no differences between the measured Raman wave numbers of the chromophoric system of monomers and dimers.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1982-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80073-3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82819509","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 uniformly convergent alternative to the davidson-cole distribution function 戴维森-科尔分布函数的一个一致收敛的替代方案
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-09-01 DOI: 10.1016/0378-4487(82)80074-5
Ellis Strick
{"title":"A uniformly convergent alternative to the davidson-cole distribution function","authors":"Ellis Strick","doi":"10.1016/0378-4487(82)80074-5","DOIUrl":"10.1016/0378-4487(82)80074-5","url":null,"abstract":"<div><p>A new skewed-arc alternative to the Davidson-Cole permittivity function is derived. It has the same very low and very high frequency limit angles in its Cole-Cole arc and approaches the behavior of the Davidson-Cole permittivity function for small values of the exponent parameter β. The difference, however, becomes increasingly appreciable for large values of β. The distribution function g(ln τ) is very much like that for the Davidson-Cole system, but it does not exhibit any singular nor discontinuous slope behavior for any value of the relaxation time τ.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1982-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80074-5","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91529640","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
Hydrogen bonding in thiirane…HX (X=F,Cl): an ab initio SCF-MO study 硫代烷…HX (X=F,Cl)中的氢键:从头算SCF-MO研究
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-09-01 DOI: 10.1016/0378-4487(82)80070-8
Alan Hinchliffe
{"title":"Hydrogen bonding in thiirane…HX (X=F,Cl): an ab initio SCF-MO study","authors":"Alan Hinchliffe","doi":"10.1016/0378-4487(82)80070-8","DOIUrl":"10.1016/0378-4487(82)80070-8","url":null,"abstract":"<div><p>SCF-MO calculations using a large atomic orbital basis set predict that both heterodimers C<sub>2</sub>H<sub>4</sub>S…HF and C<sub>2</sub>H<sub>4</sub>S…HCl are stable, with non-planar equilibrium geometries. Well depths, Mulliken population indices and several one-electron properties are reported for the heterodimers.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1982-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80070-8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81914860","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
Conformational changes of aspartate induced by high salt concentrations 高盐浓度引起的天冬氨酸构象变化
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-09-01 DOI: 10.1016/0378-4487(82)80072-1
Gennaro Esposito, Antonio Donesi, Piero A. Temussi
{"title":"Conformational changes of aspartate induced by high salt concentrations","authors":"Gennaro Esposito,&nbsp;Antonio Donesi,&nbsp;Piero A. Temussi","doi":"10.1016/0378-4487(82)80072-1","DOIUrl":"10.1016/0378-4487(82)80072-1","url":null,"abstract":"<div><p>The conformational changes of aspartate induced by increasing ionic strength were investigated by means of NMR spectroscopy. The effects of Li, Na, K and Cs chlorides in basic solutions show a relative stabilization of the two conformers with gauche carboxylates at the expense of the anti conformer. A significant quantitative difference was found between Na<sup>+</sup> and K<sup>+</sup>. The changes observed in neutral solutions, although larger than those in basic solutions, are dominated by the zwitterion interaction.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1982-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80072-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74444341","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
Theoretical studies on photodissociation of carbazole in high excited triplet states 高激发态下咔唑光解的理论研究
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-09-01 DOI: 10.1016/0378-4487(82)80075-7
Josep Planelles, Francisco Tomas, Rogelio Montañana
{"title":"Theoretical studies on photodissociation of carbazole in high excited triplet states","authors":"Josep Planelles,&nbsp;Francisco Tomas,&nbsp;Rogelio Montañana","doi":"10.1016/0378-4487(82)80075-7","DOIUrl":"10.1016/0378-4487(82)80075-7","url":null,"abstract":"<div><p>A qualitative and semiquantitative explanation of “double flash” photochemical behaviour of carbazole is found by means of Molecular Orbital studies of ground and excited states of carbazole and carbazyl radical using the CNDO/S method. The need to excite to quite high energy triplet states in order to produce the homolytic breakdown of N-H bond is justified by the fact that the triplet states of carbazole correlating with ground and first excited states of carbazyl radical are, respectively, T<sub>15</sub> and T<sub>12</sub>. These triplet states appear to be populated indirectly by means of the second flash that at first populates some other nearby triplet states (T<sub>9</sub> to T<sub>11</sub>) from T<sub>1</sub> followed by an Internal Conversion (IC) from these to the T<sub>15</sub> and T<sub>12</sub> states. This procedure is favoured by the energy lowering of the T<sub>15</sub> and T<sub>12</sub> triplet states on enlarging the N-H bond and by the important contamination of these two states owed to spin-orbit coupling.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1982-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80075-7","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72718166","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
PMR study of ligand exchange rates in aluminium perchlorate solutions in methanol and ethanol 高氯酸铝在甲醇和乙醇中的配体交换速率的PMR研究
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-08-01 DOI: 10.1016/0378-4487(82)80051-4
Iwona Wawer
{"title":"PMR study of ligand exchange rates in aluminium perchlorate solutions in methanol and ethanol","authors":"Iwona Wawer","doi":"10.1016/0378-4487(82)80051-4","DOIUrl":"10.1016/0378-4487(82)80051-4","url":null,"abstract":"<div><p>The kinetics of exchange of the whole molecule between solvation sphere of Al<sup>3+</sup> and bulk at Al(ClO<sub>4</sub>)<sub>3</sub> in CH<sub>3</sub>0D, CH<sub>3</sub>CD<sub>2</sub>0D and CD<sub>3</sub>CH<sub>2</sub>0D has been studied by means of line-shape analysis of PMR spectra of methyl and methylene groups. The activation enthalpy Δ H<sup>≠</sup> of 65 kJ/mol for methanol and 52 kJ/mol for ethanol were found. The exchange at 25°C is about 70 times faster for ethanol than for methanol.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1982-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80051-4","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80346505","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
Interactions in aqueous solutions of urea and alcohols. Excess enthalpies at 25°C 尿素和醇水溶液中的相互作用。25°C时的剩余焓
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-08-01 DOI: 10.1016/0378-4487(82)80052-6
Guido Barone, Giuseppina Castronuovo, Vittorio Elia
{"title":"Interactions in aqueous solutions of urea and alcohols. Excess enthalpies at 25°C","authors":"Guido Barone,&nbsp;Giuseppina Castronuovo,&nbsp;Vittorio Elia","doi":"10.1016/0378-4487(82)80052-6","DOIUrl":"10.1016/0378-4487(82)80052-6","url":null,"abstract":"<div><p>The heats of dilution of ternary aqueous solutions of urea and alcohols have been determined at 25°C. From the experimental data the values of the excess enthalpies H<sub>ij</sub><sup>E</sup> and of the pair enthalpy interaction coefficients h<sub>ij</sub> have been evaluated and compared with the data reported in the literature. The values of the h<sub>ij</sub> coefficients at 25°C are all positive and depend on the length and branching of the alkyl chain of the alcohols. The results are discussed in terms of the effects of a chaotropic agent”, as urea, on the cospheres of mainly hydrophobic such as alcohols.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1982-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80052-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75409515","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: 9
Contents of volume 23 第23卷内容
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-08-01 DOI: 10.1016/0378-4487(82)80053-8
{"title":"Contents of volume 23","authors":"","doi":"10.1016/0378-4487(82)80053-8","DOIUrl":"https://doi.org/10.1016/0378-4487(82)80053-8","url":null,"abstract":"","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1982-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80053-8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136450582","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
Ultrasonic relaxation in liquid nonanoic acid. The variation of the ultrasonic spectrum with temperature 液体壬酸的超声弛豫。超声光谱随温度的变化
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-08-01 DOI: 10.1016/0378-4487(82)80047-2
Lucio Amici, Paolo Passamonti, Giovanni Vitali, Gianfrancesco Berchiesi, Giancarlo Gioia-Lobbia
{"title":"Ultrasonic relaxation in liquid nonanoic acid. The variation of the ultrasonic spectrum with temperature","authors":"Lucio Amici,&nbsp;Paolo Passamonti,&nbsp;Giovanni Vitali,&nbsp;Gianfrancesco Berchiesi,&nbsp;Giancarlo Gioia-Lobbia","doi":"10.1016/0378-4487(82)80047-2","DOIUrl":"10.1016/0378-4487(82)80047-2","url":null,"abstract":"<div><p>The ultrasonic attenuation in liquid nonanoic acid (pelargonic) is measured between 16 and 55°C. A single relaxation phenomenon is pointed out at 16 and 25°C, in the ultrasonic range. At 35, 45 and 55°C, two relaxation phenomena are evident. One of the two phenomena disappears in the solution state.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1982-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80047-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79597194","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
Fast dynamic Kerr-effect and dielectric relaxation of glycerol 甘油的快速动态克尔效应和介电弛豫
Advances in Molecular Relaxation and Interaction Processes Pub Date : 1982-08-01 DOI: 10.1016/0378-4487(82)80050-2
Daniel Bourret
{"title":"Fast dynamic Kerr-effect and dielectric relaxation of glycerol","authors":"Daniel Bourret","doi":"10.1016/0378-4487(82)80050-2","DOIUrl":"10.1016/0378-4487(82)80050-2","url":null,"abstract":"<div><p>With our Kerr-effect apparatus, measurements in nanosecond domain are possible. Thus dynamic Kerr effect and dielectric relaxation studies have been made for glycerol in the range 268-258°K. Measurements show that τ<sub>k</sub> = τ<sub>d</sub> and we deduce a structural relaxation. The “spike” obtained immediately following the step removal of E is also analysed.</p></div>","PeriodicalId":100049,"journal":{"name":"Advances in Molecular Relaxation and Interaction Processes","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1982-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0378-4487(82)80050-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81525389","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
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