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The He(Iα) Photoelectron Spectra of Substituted 1,2‐Dithietes
Author(s) -
Jianqi Wang,
Mohraz Manijeh,
Heilbronner Edgar,
Krebs Adolf,
Schütz Karin,
Voss Jürgen,
Köpke Brigitte
Publication year - 1983
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19830660312
Subject(s) - chemistry , moiety , spectral line , sequence (biology) , ring (chemistry) , atomic orbital , series (stratigraphy) , crystallography , stereochemistry , molecular orbital , molecule , organic chemistry , quantum mechanics , physics , electron , paleontology , biochemistry , biology
The He(Iα) photoelectron (PE.) spectra of a series of substituted 1,2‐dithietes have been recorded and assigned with respect to the orbital sequence derived from an STO‐3G model calculation and by correlation with the PE. spectra of related compounds. The results provide additional support for the presence of a closed, four‐membered ring moiety in all the 1,2‐dithietes investigated. In all cases the two highest occupied molecular orbitals are b 2 (π)= HOMO, a 2 (π), with exception of 3,4‐bis(trifluoromethyl)‐1,2‐dithiete where the sequence b 2 (π), a 2 (π) or a 2 (π), b 2 (π) is uncertain.