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Zur Struktur von Trithiatriazinen
Author(s) -
JaudasPrezel Evelyn,
Maggiulli Roberto,
Mews Rüdiger,
Oberhammer Heinz,
Stohrer WolfDieter
Publication year - 1990
Publication title -
chemische berichte
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 0009-2940
DOI - 10.1002/cber.19901231106
Subject(s) - chemistry , antiaromaticity , mndo , electron diffraction , crystallography , ab initio , ab initio quantum chemistry methods , computational chemistry , gas phase , ring (chemistry) , gaussian orbital , anomeric effect , stereochemistry , molecule , diffraction , anomer , aromaticity , organic chemistry , physics , optics
The Structure of Trithiatriazines MNDO and ab initio calculations have shown that the structure of trithiatriazines [(RSN) 3 , where R F, Cl, {H}] is influenced by the anomeric effect and by antiaromaticity of the ring for electron pairs in axial positions. These calculations are supported by a joint electron diffraction and microwave structure determination of (NSF) 3 in the gas phase.
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