Can the solvent enhance the rate of chemical reactions through C–H/π interactions? insights from theory-Reference-Cited by-同舟云学术

Can the solvent enhance the rate of chemical reactions through C–H/π interactions? insights from theory

Published:2019 Issue:27 Volume:21 Page:14821-14831
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Jain Shailja¹²³⁴⁵,Vanka Kumar¹²³⁴⁵^ORCID

Affiliation:

1. Physical and Materials Chemistry Division

2. CSIR-National Chemical Laboratory

3. Pune-411008

4. India

5. Academy of Scientific and Innovative Research (AcSIR)

Abstract

The current computational study with density functional theory (DFT) shows that the explicit presence of C–H/π and π–π interacting solvent molecules is seen to enhance the rate of chemical reactions.

Funder

Department of Science and Technology, Ministry of Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP02646K

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4. The Unusual Role of Aromatic Solvent in Single-Site AluminumI Chemistry: Insights from Theory

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