The Jahn-Teller and Related Effects in the Cyclopentadienyl Radical, Part II: Vibrational Analysis of the Ã2A′′
نویسندگان
چکیده
The laser excited, jet-cooled Ã2A′′ 2 − X̃2E′′ 1 electronic spectrum of the cyclopentadienyl radical yields detailed information about the vibronic structure of both its à and X̃ states. A straight-forward assignment of the à vibronic structure is presented. The X̃ state vibronic structure reveals a comprehensive picture of the Jahn-Teller distortion of its potential energy surface. The molecular parameters characterizing the Jahn-Teller interaction provide the stabilization energy and distorted geometry, which are compared to previous experimental and ab initio results.
منابع مشابه
The Jahn-Teller and Related Effects in the Cyclopentadienyl Radical, Part I: The Ab Initio Calculation of Spectroscopically Observable Parameters
Ab initio calculations are performed for the X̃2E′′ 1 and à 2A′′ 2 states of the cyclopentadienyl radical. An important goal of these calculations is to guide the analysis of the experimentally observed Ã2A′′ 2 -X̃ 2E′′ 1 electronic spectrum. Vibrational frequencies for both the X̃ and à state are reported. Large changes
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