On the lower excited electronic states of biacetyl期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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On the lower excited electronic states of biacetyl

Authors:	Tae-Kyu Ha

Institution:	Laboratory of Physical Chemistry, Swiss Federal Institute of Technology, Zurich, Switzerland

Abstract:	An ab initio SCF and CI study has been carried out for the ground and electronically excited states of biacetyl (CH₃COCOCH₃). The second absorption band in the 4.40 eV region has been assigned to a ¹A_g → ¹B_g nπ^* transition The character of the lower-lying states has been analyzed in terms of the CI wavefunctions.

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