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Fluorthiatriazine
Author(s) -
Fischer Eberhard,
JaudasPrezel Eveline,
Maggiulli Roberto,
Mews Rüdiger,
Oberhammer Heinz,
Paape Rainer,
Stohrer WolfDieter
Publication year - 1991
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.19911240606
Subject(s) - chemistry , mndo , yield (engineering) , ring (chemistry) , crystallography , computational chemistry , stereochemistry , molecule , organic chemistry , thermodynamics , physics
Fluorothiatriazines From the reaction of (ClCN) 2 (ClSN) ( 1 ) with AgAsF 6 in liquid SO 2 (ClCN) 2 (SN)⊕ AsF⊖06 ( 2 ) is obtained in quantitative yield. With CsF 2 gives (ClCN) 2 (FSN) ( 3 ), which slowly dismutates at room temperature to form (ClCN)(FCN)(FSN) ( 4 ) and 1 . Fluorination of 1 with SbF 3 yields (FCN) 2 (FSN) ( 5 ). With AsF 5 5 forms the salt (FCN) 2 (SN) ⊕ AsF⊖ ( 6 ). The cation of 6 is transformed by NOCl or CsBr into the corresponding neutral derivatives (FCN) 2 (ClSN) ( 7 ) and (FCN) 2 (BrSN) ( 8 ), respectively. The gas‐phase structure of 5 was determined by electron diffraction. The influence of the different exocyclic substituents on the bond properties in this ring system is explained by means of MNDO calculations.