Global and local minima of protonated acetonitrile clusters-Reference-Cited by-同舟云学术

Global and local minima of protonated acetonitrile clusters

Published:2020 Issue:40 Volume:44 Page:17558-17569
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Malloum Alhadji¹²³⁴⁵^ORCID,Conradie Jeanet¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry

2. University of the Free State

3. Bloemfontein

4. South Africa

5. Department of Physics

Abstract

Potential energy surfaces of protonated acetonitrile clusters have been explored to locate global and local minima energy structures. The structures are stabilized by strong hydrogen bonds, anti-parallel dimers, dipole–dipole and CH⋯N interactions.

Funder

Universiteit van die Vrystaat

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2020/NJ/D0NJ03389H

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3. Flowing afterglow studies of the electron recombination of protonated cyanides (RCN)H+ and their proton-bound dimer ions (RCN)2H+ where R is H, CH3, and CH3CH2