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Cover Image, Volume 114, Issue 4
Publication year - 2014
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24602
Subject(s) - phosphine , ylide , thio , frustrated lewis pair , chemistry , cover (algebra) , computational chemistry , medicinal chemistry , lewis acids and bases , organic chemistry , catalysis , mechanical engineering , engineering
The reaction of trifluoromethyl thioamide with trimethylphosphite is schematically shown on the cover. This reaction proceeds via a three‐member intermediate, for which the decomposition yields the short‐lived dimethylaminotrifluoromethylcarbene. The latter reacts with the excess of trimethylphosphite, giving the corresponding phosphorus ylide. This is only one example of the series of reactions of (perfluoro)alkyl (thio)amides with trimethylphosphine, trimethyl phosphite, or tris(dimethylamino)phosphine. Alexander B. Rozhenko et al. on page 241 use different quantum chemistry approaches to theoretically study their reaction pathways and thermodynamics.