Journal of the American Chemical Society

Vibrational structure in the photoelectron spectrum of cyclobutadiene as a probe of structure

DW Kohn, P Chen

文献索引：Kohn, Daniel W.; Chen, Peter Journal of the American Chemical Society, 1993 , vol. 115, # 7 p. 2844 - 2848

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被引用次数: 46

摘要

Abstract: The photoelectron spectrum of cyclobutadiene, cC~ H~, is reported with partial resolution of vibrational structure. Model calculations of the Franck-Condon envelope in the spectrum, based on ab initio geometries and force constants for cC~ H~ and c-C4H4'+, find a surprisingly good agreement for a transition from the rectangular neutral to a rectangular, as opposed to a rhomboidal or square, radical cation. An adiabatic ionization potential of ...