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Spectrochimica acta. Part A: Molecular spectroscopy最新文献

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Molecular interactions in binary solutions of 4-aminophthalimide and 3-p-cumyl-pyridazinium-acetyl-benzoyl-methylid 4-氨基苯酞酰亚胺和3-对甲酰基吡嗪-乙酰-苯甲酰甲基二元溶液中的分子相互作用
Spectrochimica acta. Part A: Molecular spectroscopy Pub Date : 1994-12-01 DOI: 10.1016/0584-8539(94)E0021-2
V. Pop, Dana Dorohoi, V. Holban
{"title":"Molecular interactions in binary solutions of 4-aminophthalimide and 3-p-cumyl-pyridazinium-acetyl-benzoyl-methylid","authors":"V. Pop,&nbsp;Dana Dorohoi,&nbsp;V. Holban","doi":"10.1016/0584-8539(94)E0021-2","DOIUrl":"10.1016/0584-8539(94)E0021-2","url":null,"abstract":"<div><p>The solution parameters determining the shifts of the 4-aminophthalimide (4-AF) and 3-<em>p</em>-cumyl-pyridazinium-acetyl-benzoyl-methylid (PM) visible bands have been established by multiple regression. The characteristics are specified for the charge transitions. It has been ascertained that the chemical displacement δ<sub>H</sub> (ppm) of the hydroxil group proton can be used to express the proton transfer interactions.</p></div>","PeriodicalId":82782,"journal":{"name":"Spectrochimica acta. Part A: Molecular spectroscopy","volume":"50 14","pages":"Pages 2281-2289"},"PeriodicalIF":0.0,"publicationDate":"1994-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0584-8539(94)E0021-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83620865","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: 21
Vibrational analysis of some transition metal complexes with deprotonated and neutral malonamide 与去质子化和中性丙二胺的一些过渡金属配合物的振动分析
Spectrochimica acta. Part A: Molecular spectroscopy Pub Date : 1994-12-01 DOI: 10.1016/0584-8539(94)E0019-7
Sabrina H.J. De Beukeleer, Herman O. Desseyn
{"title":"Vibrational analysis of some transition metal complexes with deprotonated and neutral malonamide","authors":"Sabrina H.J. De Beukeleer,&nbsp;Herman O. Desseyn","doi":"10.1016/0584-8539(94)E0019-7","DOIUrl":"10.1016/0584-8539(94)E0019-7","url":null,"abstract":"<div><p>Malonamide forms neutral <span><math><mtext>1</mtext><mtext>2</mtext></math></span> complexes MX<sub>2</sub>(LH<sub>2</sub>)<sub>2</sub> with first row transition metals (M  Mn, Fe, Co, Ni, Cu, Zn; X  Cl, Br, I, NCS, ONO<sub>2</sub>; LH<sub>2</sub>  H<sub>2</sub>NCOCH<sub>2</sub>CONH<sub>2</sub>). <span><math><mtext>1</mtext><mtext>1</mtext></math></span> CuX<sub>2</sub>(LH<sub>2</sub>)<sub>1</sub> (X  Cl, Br) could also be isolated. In alkaline medium, malonamide forms anionic complexes (ML<sub>2</sub>)<sup>2−</sup>.<em>x</em>H<sub>2</sub>O (M  Ni, Cu). A complete vibrational analysis (infrared and Raman spectroscopy) has been worked out and the metal—ligand vibrations clearly prove the weak field in the octahedral MX<sub>2</sub>(LH<sub>2</sub>)<sub>2</sub> complexes. Spectroscopic evidence for the Jahn—Teller effect in the Cu complex is given by the metal—ligand vibrations, the hydrogen bonding and the Raman intensities of the ν(CO) and ν(CN).</p></div>","PeriodicalId":82782,"journal":{"name":"Spectrochimica acta. Part A: Molecular spectroscopy","volume":"50 14","pages":"Pages 2291-2309"},"PeriodicalIF":0.0,"publicationDate":"1994-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0584-8539(94)E0019-7","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73346394","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
Numerical calculation of the ground-state potential energy function of KrH+ from spectroscopic data 基于光谱数据的KrH+基态势能函数的数值计算
Spectrochimica acta. Part A: Molecular spectroscopy Pub Date : 1994-12-01 DOI: 10.1016/0584-8539(94)E0020-B
A. Šurkus
{"title":"Numerical calculation of the ground-state potential energy function of KrH+ from spectroscopic data","authors":"A. Šurkus","doi":"10.1016/0584-8539(94)E0020-B","DOIUrl":"10.1016/0584-8539(94)E0020-B","url":null,"abstract":"<div><p>The sufficiently simple method of solving the inverse spectroscopic problem based on the fitting of the generalized potential energy function to the measured spectrum is applied to the ground state of <sup>84</sup>KrH<sup>+</sup>. The fitting is performed by numerically solving the one-dimensional Schrödinger equation.</p></div>","PeriodicalId":82782,"journal":{"name":"Spectrochimica acta. Part A: Molecular spectroscopy","volume":"50 14","pages":"Pages 2391-2393"},"PeriodicalIF":0.0,"publicationDate":"1994-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0584-8539(94)E0020-B","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80903932","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
Application of the dimer approach for the analysis of vibrational spectra of BEDT—TTF-based charge-transfer salts 二聚体方法在bedt - ttf基电荷转移盐振动谱分析中的应用
Spectrochimica acta. Part A: Molecular spectroscopy Pub Date : 1994-12-01 DOI: 10.1016/0584-8539(94)E0022-3
M.E. Kozlov , M. Tokumoto
{"title":"Application of the dimer approach for the analysis of vibrational spectra of BEDT—TTF-based charge-transfer salts","authors":"M.E. Kozlov ,&nbsp;M. Tokumoto","doi":"10.1016/0584-8539(94)E0022-3","DOIUrl":"10.1016/0584-8539(94)E0022-3","url":null,"abstract":"<div><p>The dimer approach was proposed for the normal coordinate analysis of BEDT—TTF<sup>+</sup> molecular vibrations. It was shown that, within the framework of the approximation used, the appearance of additional bands in the IR as well as in Raman spectra may be explained as due to the reduction of symmetry of the dimerized system in comparison with the monomeric one. The strength of intermolecular interaction in the dimer was estimated by adjusting the calculated frequencies to the observed positions of intense “vibronic” bands recorded in the IR spectra of BEDT—TTF-based monovalent charge transfer salts. It was found that for the reproduction of “vibronic shifts” observed for some vibrations it should be assumed that the intermolecular interaction takes effect not only on the totally symmetric <em>a<sub>g</sub></em> modes, but also on the vibrations of other symmetry species.</p></div>","PeriodicalId":82782,"journal":{"name":"Spectrochimica acta. Part A: Molecular spectroscopy","volume":"50 14","pages":"Pages 2271-2280"},"PeriodicalIF":0.0,"publicationDate":"1994-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0584-8539(94)E0022-3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84297058","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
Excited state H-bonding complexes of coumarin dye derivatives 香豆素染料衍生物的激发态氢键配合物
Spectrochimica acta. Part A: Molecular spectroscopy Pub Date : 1994-12-01 DOI: 10.1016/0584-8539(94)E0009-Y
M.M.Abo Aly, B.A. El Sayed, M.M.H. Khalil, M.S.A. Abdel-Mottaleb
{"title":"Excited state H-bonding complexes of coumarin dye derivatives","authors":"M.M.Abo Aly,&nbsp;B.A. El Sayed,&nbsp;M.M.H. Khalil,&nbsp;M.S.A. Abdel-Mottaleb","doi":"10.1016/0584-8539(94)E0009-Y","DOIUrl":"10.1016/0584-8539(94)E0009-Y","url":null,"abstract":"","PeriodicalId":82782,"journal":{"name":"Spectrochimica acta. Part A: Molecular spectroscopy","volume":"50 14","pages":"Pages 2395-2396"},"PeriodicalIF":0.0,"publicationDate":"1994-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0584-8539(94)E0009-Y","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76920675","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
Multiphoton processes in atoms 原子中的多光子过程
Spectrochimica acta. Part A: Molecular spectroscopy Pub Date : 1994-12-01 DOI: 10.1016/0584-8539(94)80074-X
DavidL. Andrews
{"title":"Multiphoton processes in atoms","authors":"DavidL. Andrews","doi":"10.1016/0584-8539(94)80074-X","DOIUrl":"10.1016/0584-8539(94)80074-X","url":null,"abstract":"","PeriodicalId":82782,"journal":{"name":"Spectrochimica acta. Part A: Molecular spectroscopy","volume":"50 14","pages":"Page 2398"},"PeriodicalIF":0.0,"publicationDate":"1994-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0584-8539(94)80074-X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"105454718","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
Etude en luminescence UV—visible de la p-nitroaniline 对硝基苯胺的紫外可见性
Spectrochimica acta. Part A: Molecular spectroscopy Pub Date : 1994-11-01 DOI: 10.1016/0584-8539(93)E0022-O
A. Boucetta, B. Benali, A. Kadiri, F. Ghailane, C. Cazeau-Dubroca, G. Nouchi
{"title":"Etude en luminescence UV—visible de la p-nitroaniline","authors":"A. Boucetta,&nbsp;B. Benali,&nbsp;A. Kadiri,&nbsp;F. Ghailane,&nbsp;C. Cazeau-Dubroca,&nbsp;G. Nouchi","doi":"10.1016/0584-8539(93)E0022-O","DOIUrl":"10.1016/0584-8539(93)E0022-O","url":null,"abstract":"<div><p>The modification spectra of <em>p</em>-nitroaniline were evidenced by dipolar interaction effects and hydrogen bond complexes. This complexation was obtained either with the water traces present as impurity in aprotic solvents at low temperature, or by direct associations with OH groups in protic solvents. It conferred on the molecule a twisted conformation in the ground state due to the rotation of the NH<sub>2</sub> group around the CNH<sub>2</sub> bond. This important result agrees with an anomalous result obtained in emission data which shows dependence of fluorescence/phosphorescence intensity ratio (<em>I</em><sub>f</sub>/<em>I</em><sub>pn</sub>) on excitation energy. It is explained by mixed rotamers that exhibit this molecule in the ground state. The calculated geometry characteristics for this molecule show the ability of some theoretical methods to reproduce accurately the experimental data.</p></div>","PeriodicalId":82782,"journal":{"name":"Spectrochimica acta. Part A: Molecular spectroscopy","volume":"50 13","pages":"Pages 2249-2259"},"PeriodicalIF":0.0,"publicationDate":"1994-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0584-8539(93)E0022-O","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79433526","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
Synthesis and spectral studies of platinum metal complexes of benzoin thiosemicarbazone 苯甲酸硫代氨基脲铂金属配合物的合成及光谱研究
Spectrochimica acta. Part A: Molecular spectroscopy Pub Date : 1994-11-01 DOI: 10.1016/0584-8539(93)E0034-T
Offiong E. Offiong
{"title":"Synthesis and spectral studies of platinum metal complexes of benzoin thiosemicarbazone","authors":"Offiong E. Offiong","doi":"10.1016/0584-8539(93)E0034-T","DOIUrl":"https://doi.org/10.1016/0584-8539(93)E0034-T","url":null,"abstract":"<div><p>The platinum metal chelates of benzoin thiosemicarbazone obtained with Ru(III), Rh(III), Ir(III), Pd(II) and Pt(II) were prepared from their corresponding halide salts. The complexes were characterized by elemental analysis, conductance measurement, IR, Raman, <sup>1</sup>H-NMR, <sup>13</sup>C-NMR and UV-visible spectra studies. Various ligand field parameters and nephelauxetic parameters were also calculated. The mode of bonding and the geometry of the ligand environment around the metal ion have been discussed in the light of the available data obtained. Complexes of Ru(III), Rh(III) and Ir(III) are six-coordinate octahedral, while Pd(II) and Pt(II) halide complexes are four-coordinated with halides bridging.</p></div>","PeriodicalId":82782,"journal":{"name":"Spectrochimica acta. Part A: Molecular spectroscopy","volume":"50 13","pages":"Pages 2167-2175"},"PeriodicalIF":0.0,"publicationDate":"1994-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0584-8539(93)E0034-T","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90128762","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
Papers in press 正在出版的论文
Spectrochimica acta. Part A: Molecular spectroscopy Pub Date : 1994-11-01 DOI: 10.1016/0584-8539(94)80107-X
{"title":"Papers in press","authors":"","doi":"10.1016/0584-8539(94)80107-X","DOIUrl":"https://doi.org/10.1016/0584-8539(94)80107-X","url":null,"abstract":"","PeriodicalId":82782,"journal":{"name":"Spectrochimica acta. Part A: Molecular spectroscopy","volume":"50 12","pages":"Pages i-iii"},"PeriodicalIF":0.0,"publicationDate":"1994-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0584-8539(94)80107-X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"137005976","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
Spectroscopy of new materials 新材料光谱学
Spectrochimica acta. Part A: Molecular spectroscopy Pub Date : 1994-11-01 DOI: 10.1016/0584-8539(94)80189-4
D.R. Lovett
{"title":"Spectroscopy of new materials","authors":"D.R. Lovett","doi":"10.1016/0584-8539(94)80189-4","DOIUrl":"10.1016/0584-8539(94)80189-4","url":null,"abstract":"","PeriodicalId":82782,"journal":{"name":"Spectrochimica acta. Part A: Molecular spectroscopy","volume":"50 13","pages":"Page 2267"},"PeriodicalIF":0.0,"publicationDate":"1994-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0584-8539(94)80189-4","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81963601","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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