Why the CC Stretch in HCC Is So Anharmonic

The marked anharmonicity of the CC stretching mode in the ethynyl radical (C2H) is investigated in terms of a vibronic coupling model. It is demonstrated that the large difference between the harmonic frequency and the fundamental level (about 5–10 times that for triple-bond stretches in the related...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2021-09, Vol.125 (35), p.7694-7698
1. Verfasser:	Stanton, John F
Format:	Artikel
Sprache:	eng
Schlagworte:	A: Structure, Spectroscopy, and Reactivity of Molecules and Clusters Chemistry Physics
Online-Zugang:	Volltext
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