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Geometric and electronic structures of methylene sulfurtetrafluoride, CH2SF4, thionyl tetrafluoride, OSF4, and sulfurtetrafluoride, SF4: an ab initio study

✍ Scribed by Heinz Oberhammer; James E. Boggs

Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
502 KB
Volume
56
Category
Article
ISSN
0022-2860

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## Abstract At the G3(MP2) level of theory the __trans__ isomer 1a of the hypothetical molecule SF~4~(CN)~2~ is more stable than the __cis__ isomer 1b by 8 kJ·mol^−1^. The isomerization of 1a to 1b requires an activation enthalpy of 319 kJ·mol^−1^ at 298 K. The decomposition of __trans__‐SF~4~(CN)~