Quantum-chemical investigation of the mechanisms of oxidation of dimethyl sulfide by hydrogen peroxide and peroxoborates期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

按检索

Quantum-chemical investigation of the mechanisms of oxidation of dimethyl sulfide by hydrogen peroxide and peroxoborates

Authors:	Email author" target="_blank">S?L?Litvinenko Email author V?L?Lobachev L?M?Dyatlenko N?A?Turovskii

Institution:	(1) L. M. Litvinenko Institute of Physical Organic and Coal Chemistry, National Academy of Sciences of Ukraine, Vul. R. Luxemburg, 70, Donets’k, 83114, Ukraine;(2) Donets’k National University, Vul. Universytets’ka, 24, Donets’k, 83055, Ukraine

Abstract:	It was established by the DFT method in the B3LYP/6-311G-d,p approximation that the oxidation of dimethyl sulfide (Me₂S) by peroxides (XOOH) can take place by two mechanisms depending on the nature of X. In the reaction of Me₂S with hydrogen peroxide (X = H) the direct reagent is the HOOH molecule while in the reactions with monoperoxoborate X = B(OH)₃] and diperoxoborate X = B(OH)₂OOH] it is a reagent containing the “water oxide” fragment X—(⁺OH)—O^–.

Keywords:
本文献已被 SpringerLink 等数据库收录！