학술논문
Electronic structure and basicity of trifluoro- N-methyl- N-(2-phenylethenyl)methanesulfonamide.
Document Type
Article
Author
Source
Subject
*ELECTRONIC structure
*METHYL triflate
*SULFONAMIDES
*PROTON transfer reactions
*OXYGEN atom transfer reactions
*INFRARED spectroscopy
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Language
ISSN
1070-4280
Abstract
The electronic structures and basicities of trifluoro- N-methyl- N-(2-phenylethenyl)methanesulfonamide, N-methyl-2-phenylethenamine, trifluoro- N-methylmethanesulfonamide, and their C-, N-, and O-protonated forms and H-complexes were studied at the B3LYP/6-311+G** and MP2/cc-pVTZ levels of theory. The basicity of the double bond in trifluoro- N-methyl- N-(2-phenylethenyl)methanesulfonamide is much lower than that in N-methyl-2-phenylethenamine, and its protonation is possible only in trifluoromethanesulfonic acid. [ABSTRACT FROM AUTHOR]