Theoretical study on the effective dehydrochlorination of 1,2-dichloroethane catalyzed by tetraalkylphosphonium chlorides: electrostatically controlled reactivity

Author:

Mu Xueli12345ORCID,Jing Yaru12345ORCID,Liu Chengbu12345,Zhang Dongju12345

Affiliation:

1. Institute of Theoretical Chemistry

2. School of Chemistry and Chemical Engineering

3. Shandong University

4. Jinan 250100

5. China

Abstract

Herein, we report a DFT study on how and why tetraalkylphosphonium chlorides efficiently catalyze the dehydrochlorination of 1,2-dichloroethane.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

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