Topology of electrostatic potential and electron density reveals a covalent to non-covalent carbon–carbon bond continuum-Reference-Cited by-同舟云学术

Topology of electrostatic potential and electron density reveals a covalent to non-covalent carbon–carbon bond continuum

Published:2023 Issue:37 Volume:25 Page:25191-25204
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Anjalikrishna Puthannur K.¹²,Gadre Shridhar R.³,Suresh Cherumuttathu H.¹²^ORCID

Affiliation:

1. Chemical Sciences and Technology Division, CSIR-National Institute for Interdisciplinary Science and Technology, Thiruvananthapuram, Kerala, 695019, India

2. Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India

3. Departments of Chemistry and Scientific Computing, Modelling & Simulation, Savitribai Phule Pune University, Pune 411007, India

Abstract

MESP topology analysis suggests a CC bond continuum in chemistry which encompasses all kinds of covalent, non-covalent and borderline cases such as transition states.

Funder

Science and Engineering Research Board

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/D3CP03268J

Reference99 articles.

1. Carbon–carbon bonds get a break

2. Structure of hexaphenylethane and congeners as determined by empirical force field calculations

3. Longest C–C Single Bond among Neutral Hydrocarbons with a Bond Length beyond 1.8 Å

4. Negligible diradical character for the ultralong C–C bond in 1,1,2,2-tetraarylpyracene derivatives at room temperature

5. [2+2] Cycloaddition Products of Tetradehydrodianthracene: Experimental and Theoretical Proof of Extraordinary Long CC Single Bonds

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