Theory of Formamide and Its Related Compounds by INDO-CI Method
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概要
- 論文の詳細を見る
To calculate the optical absorption of formamide and its related compounds,the INDO method for valence-shell electrons is extended to include the changein valence-state electron configurations. All the molecular integrals areparametrized as functions of electron densities. The singlet states of those amidesare then determined with a due account of Cl, including all the singly-excitedand the simultaneous doubly-excited configurations. It is thus shown for form-amide that the lowest four transitions can be assigned as n-n', NVI, n'-n'and NV., and that the calcttlated absorption agrees with the observation. It is alsoghown from the calculation on related compounds that the methyl sttbstitutionof hydrogen atom's) exerts a considerable influence on NV.- and NV.-transition,and that the calculated directions of NVj-transition moment are in a satisfactoryagreement with the observed ones.
- 社団法人日本物理学会の論文
- 1979-03-15
著者
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Suzuki Hideo
Department of Information and Network Science, Chiba Institute of Technology
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NAKACHI Kei
Department of Radiobiology/Molecular Epidemiology, Radiation Effects Research Foundation
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Nakachi Kei
Department Of Physics School Of Science And Engineering Waseda University
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Nakachi Kei
Department Of Epidemiology Radiation Effects Research Institute
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SAKURANAGA Masanori
Department of Physiology,Nippon Medical School
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Sakuranaga Masanori
Department Of Physiology Nippon Medical School
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Suzuki Hideo
Department Of Cardiology Surugadai Nihon University Hospital
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Suzuki Hideo
Department of Bioscience Research, Tsukuba Research Laboratory, Toagosei Co., Ltd.
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