Orbital angular momentum in triatomic molecules
作者:
Ch. Jungen,
A.J. Merer,
期刊:
Molecular Physics
(Taylor Available online 1980)
卷期:
Volume 40,
issue 1
页码: 95-114
ISSN:0026-8976
年代: 1980
DOI:10.1080/00268978000101321
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
The electronic orbital angular momentum effects in theÃ1IIustate of C3have been considered. A very good fit to the observed vibronic energy levels and rotational constants has been obtained using a full matrix treatment of the orbital angular momentum in conjunction with a large amplitude formalism for the bending motion. The importance of the variation of the expectation value <Lz> with bond angle is emphasized; the quality of the final fit is very much improved when this is included. Franck-Condon overlap integrals have been calculated for bands of theÃ1IIu-[Xtilde]1Σg+transition, which is the carrier of the 4050 Å group of bands prominent in cometary spectra. A comparison has been made between the vibronic energy levels of linear and quasi-linear molecules in orbitally degenerate electronic states.
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