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

Kosuke Watanabe; Yasutomo Segawa; Kenichiro Itami

doi:10.1039/d0cc06373h

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

Chem Commun (Camb). 2020 Dec 7;56(95):15044-15047. doi: 10.1039/d0cc06373h.

Authors

Kosuke Watanabe¹, Yasutomo Segawa, Kenichiro Itami

Affiliation

¹ Graduate School of Science, Nagoya University, Chikusa, Nagoya 464-8602, Japan. itami@chem.nagoya-u.ac.jp.

PMID: 33196074
DOI: 10.1039/d0cc06373h

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.