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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