Cooperativity between H-bonds and tetrel bonds. Transformation of a noncovalent C⋯N tetrel bond to a covalent bond-Reference-Cited by-同舟云学术

Cooperativity between H-bonds and tetrel bonds. Transformation of a noncovalent C⋯N tetrel bond to a covalent bond

Published:2023 Issue:43 Volume:25 Page:29738-29746
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wang Xin¹,Li Qingzhong¹,Scheiner Steve²^ORCID

Affiliation:

1. The Laboratory of Theoretical and Computational Chemistry, School of Chemistry and Chemical Engineering, Yantai University, Yantai 264005, P. R. China

2. Department of Chemistry and Biochemistry, Utah State University, Logan, UT 84322-0300, USA

Abstract

Both a long noncovalent C⋯N tetrel bond and a short covalent C–N bond between imidazole and F2CO represent minima of comparable energy, when the cooperativity of a H-bond is introduced into the system.

Funder

Natural Science Foundation of Shandong Province

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP04430K

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1. Self-recognition and self-selection in multicomponent supramolecular coordination networks on surfaces

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