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The infra-red spectra of alkyl mercapturic acids, their sulphoxides and sulphones 烷基巯基酸及其亚砜和硫酮的红外光谱
Spectrochimica Acta Pub Date : 1966-10-01 DOI: 10.1016/0371-1951(66)80219-9
W.O. George, R.C.W. Goodman , J.H.S. Green
{"title":"The infra-red spectra of alkyl mercapturic acids, their sulphoxides and sulphones","authors":"W.O. George,&nbsp;R.C.W. Goodman ,&nbsp;J.H.S. Green","doi":"10.1016/0371-1951(66)80219-9","DOIUrl":"https://doi.org/10.1016/0371-1951(66)80219-9","url":null,"abstract":"<div><p>The infra-red spectra (4000-400 cm<sup>−1</sup>) of methyl-, ethyl- and <em>n</em>-propylmercapturic acids, and of the corresponding sulphoxides and sulphones are reported. Characteristic vibrations are identified, and some differences between the spectra of the compounds as solids and in solution are interpreted in terms of different conformations.</p></div>","PeriodicalId":101180,"journal":{"name":"Spectrochimica Acta","volume":"22 10","pages":"Pages 1741-1749"},"PeriodicalIF":0.0,"publicationDate":"1966-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0371-1951(66)80219-9","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91774390","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
The assignment of the electronic transitions of azoxybenzene 偶氮氧苯电子跃迁的指派
Spectrochimica Acta Pub Date : 1966-10-01 DOI: 10.1016/0371-1951(66)80215-1
Camillo Tosi
{"title":"The assignment of the electronic transitions of azoxybenzene","authors":"Camillo Tosi","doi":"10.1016/0371-1951(66)80215-1","DOIUrl":"https://doi.org/10.1016/0371-1951(66)80215-1","url":null,"abstract":"<div><p>We have analysed the ultra-violet absorption spectrum of azoxybenzene into component bands. This analysis has enabled us to propose a new interpretation of the electronic transitions of azoxybenzene, which partially differs from those of earlier authors.</p></div>","PeriodicalId":101180,"journal":{"name":"Spectrochimica Acta","volume":"22 10","pages":"Pages 1701-1706"},"PeriodicalIF":0.0,"publicationDate":"1966-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0371-1951(66)80215-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91774391","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
Infrared studies on some ferroelectric compounds of glycine 甘氨酸铁电化合物的红外研究
Spectrochimica Acta Pub Date : 1966-10-01 DOI: 10.1016/0371-1951(66)80224-2
R.K. Khanna, M. Horak , E.R. Lippincott
{"title":"Infrared studies on some ferroelectric compounds of glycine","authors":"R.K. Khanna,&nbsp;M. Horak ,&nbsp;E.R. Lippincott","doi":"10.1016/0371-1951(66)80224-2","DOIUrl":"https://doi.org/10.1016/0371-1951(66)80224-2","url":null,"abstract":"<div><p>The infrared absorption spectra of monoglycine nitrate, diglycine nitrate, triglycine sulphate, their deuterated and <sup>15</sup>N (glycine and HNO<sub>3</sub>) substituted analogs have been investigated at room temperature and at liquid N<sub>2</sub> temperature. These data have been utilized to suggest the nature of the binding between the polyatomic units in the respective crystal lattices. Based on these studies a plausible switching mechanism in the ferroelectric phase of diglycine nitrate is proposed. The data on triglycine sulphate are consistent with the reported crystal structure and the proposed switching mechanism. There is no indication of any phase transition in monoglycine nitrate between room temperature and liquid N<sub>2</sub> temperature.</p></div>","PeriodicalId":101180,"journal":{"name":"Spectrochimica Acta","volume":"22 10","pages":"Pages 1801-1811"},"PeriodicalIF":0.0,"publicationDate":"1966-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0371-1951(66)80224-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91760822","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: 19
Arbitrary techniques of band resolution—application to enthalpy calculations 波段分辨的任意技术——在焓计算中的应用
Spectrochimica Acta Pub Date : 1966-10-01 DOI: 10.1016/0371-1951(66)80222-9
A.W. Baker, M.D. Yeaman
{"title":"Arbitrary techniques of band resolution—application to enthalpy calculations","authors":"A.W. Baker,&nbsp;M.D. Yeaman","doi":"10.1016/0371-1951(66)80222-9","DOIUrl":"https://doi.org/10.1016/0371-1951(66)80222-9","url":null,"abstract":"<div><p>Methods are explored for separating areas of overlapping bands into parts useful for enthalpy calculations. These methods consist of arbitrary procedures wherein lines of demarcation are drawn vertically at peak maxima or at the minimum between the peaks. Possible errors in the enthalpies thus obtained are examined by using Lorentzian or Gaussian band profiles as models. It is shown that, in general, the errors for these two profiles are in opposite directions and that they tend to cancel for real bands.</p></div>","PeriodicalId":101180,"journal":{"name":"Spectrochimica Acta","volume":"22 10","pages":"Pages 1773-1785"},"PeriodicalIF":0.0,"publicationDate":"1966-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0371-1951(66)80222-9","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91760820","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: 20
Infrared studies on glycine and its addition compounds 甘氨酸及其加成物的红外研究
Spectrochimica Acta Pub Date : 1966-10-01 DOI: 10.1016/0371-1951(66)80221-7
R.K. Khanna, M. Horak , E.R. Lippincott
{"title":"Infrared studies on glycine and its addition compounds","authors":"R.K. Khanna,&nbsp;M. Horak ,&nbsp;E.R. Lippincott","doi":"10.1016/0371-1951(66)80221-7","DOIUrl":"https://doi.org/10.1016/0371-1951(66)80221-7","url":null,"abstract":"<div><p>The infrared absorption spectra of glycine, mono- and di-glycine hydrochlorides and hydrobromides, their deuterated analogs and the ones containing <sup>15</sup>N substituted glycine have been investigated from 3500 to 250 cm<sup>−1</sup> at room temperature as well as at liquid N<sub>2</sub> temperature. The spectra of the equilibrium mixtures containing the species (i) NH<sub>3</sub><sup>+</sup>CH<sub>2</sub>COO<sup>−</sup>, (ii) NH<sub>2</sub><sup>+</sup>DCH<sub>2</sub>COO<sup>−</sup>, (iii) NHD<sub>2</sub><sup>+</sup>CH<sub>2</sub>COO<sup>−</sup> and (iv) ND<sub>3</sub><sup>+</sup>CH<sub>2</sub>COO have been discussed in terms of the vibrational modes of the groups NH<sub>3</sub><sup>+</sup> (NH<sub>2</sub>D<sup>+</sup>, NHD<sub>2</sub><sup>+</sup>, ND<sub>3</sub><sup>+</sup>), CH<sub>2</sub>, COO<sup>−</sup> and the skeleton CCN<sup>+</sup> in the light of the effect of the coupling of vibrations on the absorption characteristics. The region 3200-1800 cm<sup>−1</sup> shows bands which seem to represent characteristic N<sup>+</sup>H⋯O/N<sup>+</sup>D⋯O bond properties and the Fermi resonance between N<sup>+</sup>H(N<sup>+</sup>D) stretch and the overtones/combinations (believed to be the cause of the complexity of this region) does not appear probable as revealed by our deuteration studies.</p><p>The spectra of monoglycine hydrochloride and hydrobromide indicate a dimer formation between two glycinium units (NH<sub>3</sub><sup>+</sup>CH<sub>2</sub>COOH) through very strong hydrogen bonds (OH⋯O). The spectral data on diglycine hydrochloride and hydrobromide are consistent with the reported crystal structure.</p></div>","PeriodicalId":101180,"journal":{"name":"Spectrochimica Acta","volume":"22 10","pages":"Pages 1759-1771"},"PeriodicalIF":0.0,"publicationDate":"1966-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0371-1951(66)80221-7","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90129315","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: 32
Low-frequency infra-red studies (200–500 cm−1) on complexes containing the (Mo6Cl8)4+ and (W6Cl8)4+ cores 低频红外研究(200-500 cm−1)对含有(Mo6Cl8)4+和(W6Cl8)4+核心的配合物
Spectrochimica Acta Pub Date : 1966-10-01 DOI: 10.1016/0371-1951(66)80214-X
R.J.H. Clark, D.L. Kepert, R.S. Nyholm, G.A. Rodley
{"title":"Low-frequency infra-red studies (200–500 cm−1) on complexes containing the (Mo6Cl8)4+ and (W6Cl8)4+ cores","authors":"R.J.H. Clark,&nbsp;D.L. Kepert,&nbsp;R.S. Nyholm,&nbsp;G.A. Rodley","doi":"10.1016/0371-1951(66)80214-X","DOIUrl":"10.1016/0371-1951(66)80214-X","url":null,"abstract":"<div><p>The infra-red active metal-chlorine vibrational modes of compounds containing the (Mo<sub>6</sub>Cl<sub>8</sub>)<sup>4+</sup> and (W<sub>6</sub>Cl<sub>8</sub>)<sup>4+</sup> cores have been studied above 200 cm<sup>−1</sup>. Two bands associated with vibrations of the cage are observed in all cases, and the correlation between their energies and the presence of other ligands is discussed.</p></div>","PeriodicalId":101180,"journal":{"name":"Spectrochimica Acta","volume":"22 10","pages":"Pages 1697-1700"},"PeriodicalIF":0.0,"publicationDate":"1966-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0371-1951(66)80214-X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89513449","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: 19
Studies of hydrogen bonding—XVI the complexing of pentafluorophenol with triphenylphosphine oxide 氢键的研究——十六。五氟苯酚与氧化三苯基膦的络合
Spectrochimica Acta Pub Date : 1966-10-01 DOI: 10.1016/0371-1951(66)80213-8
T. Gramstad, G. van Binst
{"title":"Studies of hydrogen bonding—XVI the complexing of pentafluorophenol with triphenylphosphine oxide","authors":"T. Gramstad,&nbsp;G. van Binst","doi":"10.1016/0371-1951(66)80213-8","DOIUrl":"https://doi.org/10.1016/0371-1951(66)80213-8","url":null,"abstract":"<div><p>It has been found that pentafluorophenol (PFP) forms hydrogen-bonded complexes with triphenylphosphine oxide (TPPO) of the type 1:1, 2:1 and 1:2. The <em>K</em><sub>ass</sub>, Δ<em>F</em>, Δ<em>H</em> and Δ<em>S</em> values for the various complexes have been determined.</p><p>The infra-red spectra in the OH stretching vibration region for mixtures of various proton acceptors with PFP in carbon tetrachloride have been compared with the corresponding spectra using respectively phenol, pentabromophenol or pentachlorophenol as proton donor.</p></div>","PeriodicalId":101180,"journal":{"name":"Spectrochimica Acta","volume":"22 10","pages":"Pages 1681-1696"},"PeriodicalIF":0.0,"publicationDate":"1966-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0371-1951(66)80213-8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91760819","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: 20
Infrared absorption intensities of hexafluorobenzene. Assignment of the 317 cm−1 band 六氟苯的红外吸收强度。317cm−1波段的分配
Spectrochimica Acta Pub Date : 1966-10-01 DOI: 10.1016/0371-1951(66)80218-7
W.B. Person , D.A. Olsen, J.N. Fordemwalt
{"title":"Infrared absorption intensities of hexafluorobenzene. Assignment of the 317 cm−1 band","authors":"W.B. Person ,&nbsp;D.A. Olsen,&nbsp;J.N. Fordemwalt","doi":"10.1016/0371-1951(66)80218-7","DOIUrl":"10.1016/0371-1951(66)80218-7","url":null,"abstract":"<div><p>The infrared intensifies of the two low-frequency fundamentals of hexafluorobenzene have been measured in the vapor phase, and the value of the intensity of the Fermi doublet at 1000 cm<sup>−1</sup> has been checked. The intensity of the 317 cm<sup>−1</sup> band is very low, contrary to the estimate made by STEELE and WHIFFEN. Although both the low-frequency bands show the <em>PQR</em> structure of a parallel vibration, estimation of the <em>PQR</em> spacing expected for this molecule confirms the assignment of the 317 cm<sup>−1</sup> band to the <em>e</em><sub>1<em>u</em></sub> fundamental, ν<sub>20</sub>, made by STEELE and WHIFFEN. The CF bond moments are presented, together with a discussion of the nature of the bond moment hypothesis and an estimate of the vibronic effects to be expected in this molecule.</p></div>","PeriodicalId":101180,"journal":{"name":"Spectrochimica Acta","volume":"22 10","pages":"Pages 1733-1740"},"PeriodicalIF":0.0,"publicationDate":"1966-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0371-1951(66)80218-7","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81353477","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: 10
Solvent shifts in electronic spectra—I. Stokes shift in a series of homologous aromatic amines 溶剂在电子光谱中的位移。一系列同源芳香胺的斯托克斯移位
Spectrochimica Acta Pub Date : 1966-10-01 DOI: 10.1016/0371-1951(66)80220-5
H.M. Rosenberg, E. Eimutis (2/Lt)
{"title":"Solvent shifts in electronic spectra—I. Stokes shift in a series of homologous aromatic amines","authors":"H.M. Rosenberg,&nbsp;E. Eimutis (2/Lt)","doi":"10.1016/0371-1951(66)80220-5","DOIUrl":"10.1016/0371-1951(66)80220-5","url":null,"abstract":"<div><p>The B<span>ilot</span> and K<span>awski</span> [1] equation, relating Stokes shift to solvent parameters, was applied to the electronic spectra of aromatic amines in various solvents. The equation was found to be in good agreement with the experimental data. In addition, the effect of hydrogen-bonding between solvent and solute was studied. The deviations of these systems from the theoretical equation provided an estimate of the energy of the specific interactions, which were found to be consistent with hydrogen-bond energy values. The theoretical significance of these results is discussed.</p></div>","PeriodicalId":101180,"journal":{"name":"Spectrochimica Acta","volume":"22 10","pages":"Pages 1751-1757"},"PeriodicalIF":0.0,"publicationDate":"1966-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0371-1951(66)80220-5","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82656192","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: 17
An infrared study of organophosphorus compounds—I. Rotational isomers and assignments 有机磷化合物的红外光谱研究。旋转异构体和配位
Spectrochimica Acta Pub Date : 1966-09-01 DOI: 10.1016/0371-1951(66)80156-X
R.A. Nyquist, W.W. Muelder
{"title":"An infrared study of organophosphorus compounds—I. Rotational isomers and assignments","authors":"R.A. Nyquist,&nbsp;W.W. Muelder","doi":"10.1016/0371-1951(66)80156-X","DOIUrl":"10.1016/0371-1951(66)80156-X","url":null,"abstract":"<div><p>Infrared liquid and solution spectra were recorded over the range 400–3800 cm<sup>−1</sup> at temperatures ranging from 25°C to −100°C for CH<sub>3</sub>OP(S)Cl<sub>2</sub>, CD<sub>3</sub>OP(S)Cl<sub>2</sub>, and CH<sub>3</sub>OP(O)Cl<sub>2</sub>. This study of infrared spectra at several temperatures adds support to a previous conclusion that the absorption bands of ν<sub>PO</sub> and ν<sub>PS</sub> appear as doublets due to the existence of rotational isomers. In addition, it is shown that the absorption bands of several fundamentals also appear as doublets in the infrared spectrum due to the presence of rotational isomers. Also, the study of the infrared spectrum of CD<sub>3</sub>OP(S)Cl<sub>2</sub> has enabled a definite assignment for the fundamentals due to CH<sub>3</sub> and CD<sub>3</sub> groups and the fundamentals for the COPCl<sub>2</sub> skeleton, which occur in the 400–3800 cm<sup>−1</sup> region of the spectrum.</p></div>","PeriodicalId":101180,"journal":{"name":"Spectrochimica Acta","volume":"22 9","pages":"Pages 1563-1569"},"PeriodicalIF":0.0,"publicationDate":"1966-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0371-1951(66)80156-X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85414756","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: 38
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