On the Ceometry and Electronic Structure of Methyl Allenyl Ether and Methyl Allenyl Thioether
作者:
PeterC. Burgers,
CorW. Worrell,
MarinusP. Groenewege,
期刊:
Spectroscopy Letters
(Taylor Available online 1980)
卷期:
Volume 13,
issue 6
页码: 381-396
ISSN:0038-7010
年代: 1980
DOI:10.1080/00387018008064030
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
The He(I) photoelectronspectra of methyl allenyl ether and its sulphur analogue furnish information on lone pair (n)/π conjugation. Evidence is presented that methyl allenyl ether in the gasfase exists in two conformations being for a major part the stable s-cis and to a minor degree the s-trans rotamer. Empirical calculations (MIEHM) substantiate our proposals, whilst a semi-empirical method (MINDO/3) is not in disagreement with it. Our result is in contradiction with previous electron diffraction work.
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