A study of the large amplitude motions of indoline through microwave spectroscopy andab initiocalculations
作者:
Walther Caminati,
LauraB. Favero,
Biagio Velino,
Francesco Zerbetto,
期刊:
Molecular Physics
(Taylor Available online 1993)
卷期:
Volume 78,
issue 6
页码: 1561-1574
ISSN:0026-8976
年代: 1993
DOI:10.1080/00268979300101011
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
We report the gas phase microwave observation and subsequent analysis of the ring puckering level splitting of indoline and its N-D isotopomer. The spectra of the four lowest vibrational states are modelled through a two-dimensional vibrational Hamiltonian to furnish a coherent picture. According to this new picture, five-membered rings with a single double bond and five-membered rings in which the double bond is fused with a benzenic ring share a similar low ring puckering barrier. Discrepancies with previous work are ascribed to the use of a one-dimensional vibrational Hamiltonian.Ab initiocalculations concur with the present analysis.
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