Electronic structure and basicity of trifluoro-N-methyl-N-(2-phenylethenyl)methanesulfonamide View Full Text


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Article Info

DATE

2013-07

AUTHORS

N. N. Chipanina, L. P. Oznobikhina, I. V. Ushakova, B. A. Shainyan

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. More... »

PAGES

999-1003

References to SciGraph publications

  • 2012-01. N-Methyl-N-(2-phenylethenyl)trifluoromethanesulfonamide in RUSSIAN JOURNAL OF ORGANIC CHEMISTRY
  • 2009-08. Orientation of hydrogen bond in H-complexes of sulfones and sulfonamides in RUSSIAN JOURNAL OF GENERAL CHEMISTRY
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    http://scigraph.springernature.com/pub.10.1134/s1070428013070075

    DOI

    http://dx.doi.org/10.1134/s1070428013070075

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