A theoretical study on the first ionic state of benzene with analysis of vibrational structure of the photoelectron spectrum
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- Kouichi Takeshita
- Faculty of Bioindustry, Tokyo University of Agriculture, Abashiri, Hokkaido 099-24, Japan
抄録
<jats:p>Ab initio calculations have been performed to study the vibrational levels of the first ionic state (2E1g) of benzene. The equilibrium molecular structure and vibrational modes of the state are presented. The theoretical ionization intensity curve including the vibrational structure is also presented and compared with the photoelectron spectrum. A number of new assignments of the photoelectron spectra are proposed.</jats:p>
収録刊行物
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- The Journal of Chemical Physics
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The Journal of Chemical Physics 101 (3), 2192-2197, 1994-08-01
AIP Publishing
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詳細情報 詳細情報について
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- CRID
- 1361418521246907776
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- DOI
- 10.1063/1.467726
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- ISSN
- 10897690
- 00219606
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- データソース種別
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- Crossref