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The calculation of fluorine hyperfine interactions in π-electron radicals

 

作者: A. Hinchliffe,   J.N. Murrell,  

 

期刊: Molecular Physics  (Taylor Available online 1968)
卷期: Volume 14, issue 2  

页码: 147-152

 

ISSN:0026-8976

 

年代: 1968

 

DOI:10.1080/00268976800100151

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

Qfactors have been calculated for fluorine hyperfine interaction inπ-electron radicals using an independent-electron model for theσorbitals. It is shown that the off-diagonal elements give an important contribution to fluorine coupling constants. Combining theseQfactors with calculatedπ-electron spin densities of fluoro-nitrobenzenes gives good agreement with experimental coupling constants.

 

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