A THEORETICAL STUDY OF THE REACTION MECHANISM OF PROPARGYL CHLORIDE WITH B-MERCAPTOYETHANOL IN THE HYDRAZINE-HYDRATE-KOH SYSTEM

Authors: Elena Chirkina

Publication: Modern Technologies and Scientific and Technological Progress

Published: May 15, 2026

Source: Crossref

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Abstract

<jats:p>Quantum-chemical modeling of the reaction mechanism of propargyl chloride with B-mercaptoyethanol in the hydrazine hydrate–KOH system was performed using the combined CCSD(T)/6-31+G*//B3LYP/6-311++G** approach. Elementary reaction steps, possible intermediate compounds, and transition states were identified</jats:p>

Keywords

reaction quantumchemical modeling mechanism propargyl

A THEORETICAL STUDY OF THE REACTION MECHANISM OF PROPARGYL CHLORIDE WITH B-MERCAPTOYETHANOL IN THE HYDRAZINE-HYDRATE-KOH SYSTEM

Abstract

Keywords

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