Theoretical investigation of nucleophilic substitution reaction of phenyl carbonyl isothiocyanates with pyridines in gas and polar aprotic solvent-Reference-Cited by-同舟云学术

Theoretical investigation of nucleophilic substitution reaction of phenyl carbonyl isothiocyanates with pyridines in gas and polar aprotic solvent

Published:2024 Issue:4 Volume:26 Page:3168-3183
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Adhikary Keshab Kumar¹^ORCID,Verpoort Francis²³^ORCID,Heynderickx Philippe M.¹⁴^ORCID

Affiliation:

1. Center for Environmental and Energy Research (CEER) – Engineering of Materials via Catalysis and Characterization, Ghent University Global Campus, 119-5 Songdomunhwa-Ro, Yeonsu-Gu, Incheon, 406-840, South Korea

2. Laboratory of Organometallics, Catalysis and Ordered Materials, State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, P. R. China

3. National Research Tomsk Polytechnic University, Lenin Avenue 30, 634050 Tomsk, Russian Federation

4. Department of Green Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, Ghent, B-9000, Belgium

Abstract

This study focuses on the mutual interaction of substituents in the nucleophiles and substrates – Hammett–Brønsted parameters (ρXY, ρX, ρY and βX) and Fukui function are considered for the study.

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP04272C

Reference104 articles.

1. Theoretical studies on the gas-phase nucleophilic substitution reactions of benzyl chlorides with phenoxides and thiophenoxides

2. Theoretical Studies of Solvent Effect on the Basicity of Substituted Pyridines

3. Gas-Phase Identity Nucleophilic Substitution Reactions of Cyclopropenyl Halides

4. Effect of Amine Nature on Reaction Rate and Mechanism in Nucleophilic Substitution Reactions of 2,4-Dinitrophenyl X-Substituted Benzenesulfonates with Alicyclic Secondary Amines