- PII
- 10.31857/S0044460X23030101-1
- DOI
- 10.31857/S0044460X23030101
- Publication type
- Article
- Status
- Published
- Authors
- Volume/ Edition
- Volume 93 / Issue number 3
- Pages
- 425-431
- Abstract
- The mechanism of the reaction of vinylsilanes with N , N -dichlorotriflamide and the effect of a substituent at the silicon atom on the reaction course and on the charge distribution in substrates and their carbon analogues were studied by DFT method. The C=C bond in vinylsilanes and alkenes is polarized in the opposite way. The reaction proceeds in two stages: chlorination of the substrate with the formation of a chloronium ion, and its opening at the Cβ-Cl bond by the N -chlorotriflamide anion. Transition states of two stages were calculated. The reaction products are hydrolyzed to NH-derivatives; their IR spectra and supramolecular structure, including cyclic and linear dimers, calculated in the gas phase and in a polar medium, were studied.
- Keywords
- винилсиланы хлортрифламидирование механизм реакции квантово-химические расчеты ИК спектроскопия
- Date of publication
- 17.09.2025
- Year of publication
- 2025
- Number of purchasers
- 0
- Views
- 14
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