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Extensive ab Initio Study of the C 2 O 2 , C 2 S 2 , and C 2 OS Systems: Stabilities and Singlet−Triplet Energy Gaps

✍ Scribed by Talbi, D.; Chandler, G. S.


Book ID
126865595
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
137 KB
Volume
104
Category
Article
ISSN
1089-5639

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Ab initio MO calculations have been performed for neutral and cationic CzHzFz structures. Olefinic and carbene structures are investigated for the neutral isomers, while olefinic, carbene, and fluoronium-type cations are found. Stability orders and rotational barriers are discussed in terms of orbit