Cooperative nature of the sulfur centered hydrogen bond: investigation of (H2S)n (n = 2–4) clusters using an affordable yet accurate level of theory-Reference-Cited by-同舟云学术

Cooperative nature of the sulfur centered hydrogen bond: investigation of (H2S)n (n = 2–4) clusters using an affordable yet accurate level of theory

Published:2019 Issue:45 Volume:21 Page:25439-25448
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sarkar Saptarshi¹²³⁴,Monu Monu¹²³⁴,Bandyopadhyay Biman¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry

2. Malaviya National Institute of Technology Jaipur

3. Jaipur

4. India

Abstract

S–H⋯ S H-bond has been shown to exhibit cooperative strengthening in H₂S molecular clusters from geometric, energetic and electronic viewpoint by means of quantum chemical calculations at CCSD(T)/CBS//MP2-CP/aug-cc-pV(D+d)Z level of theory.

Funder

Council of Scientific and Industrial Research, India

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/C9CP05326C

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3. Tetrahedral structure or chains for liquid water

4. Hydrogen Bond Cooperativity and the Three-Dimensional Structures of Water Nonamers and Decamers

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