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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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