Issue 95, 2020
From the journal:

Chemical Communications

A theoretical study on the strain energy of helicene-containing carbon nanobelts†

Kosuke Watanabe, ORCID logo ab   Yasutomo Segawa ORCID logo *abcd  and  Kenichiro Itami ORCID logo *ace  

* Corresponding authors

a Graduate School of Science, Nagoya University, Chikusa, Nagoya 464-8602, Japan
E-mail: itami@chem.nagoya-u.ac.jp

b Institute for Molecular Science, Myodaiji, Okazaki, Japan
E-mail: segawa@ims.ac.jp

c JST-ERATO, Itami Molecular Nanocarbon Project, Chikusa, Nagoya 464-8602, Japan

d Department of Structural Molecular Science, SOKENDAI (The Graduate University for Advanced Studies), Myodaiji, Okazaki, Japan

e Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya University, Chikusa, Nagoya 464-8602, Japan

Abstract

In this study, the theoretical analysis of the strain energy of helicene-containing carbon nanobelts is reported. It was found that the combined method of linear regression analysis and suitable homodesmotic reactions can successfully estimate the strain energies of various helicene-containing carbon nanobelts including previously synthesized chiral (18,12) carbon nanobelts.

Graphical abstract: A theoretical study on the strain energy of helicene-containing carbon nanobelts

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Article information

DOI
https://doi.org/10.1039/D0CC06373H
Article type
Communication
Submitted
22 Sep 2020
Accepted
10 Nov 2020
First published
10 Nov 2020

Chem. Commun., 2020,56, 15044-15047

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A theoretical study on the strain energy of helicene-containing carbon nanobelts

K. Watanabe, Y. Segawa and K. Itami, Chem. Commun., 2020, 56, 15044 DOI: 10.1039/D0CC06373H

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