Nontrivial spectral band progressions in electronic circular dichroism spectra of carbohelicenes revealed by linear response calculations-Reference-Cited by-同舟云学术

Nontrivial spectral band progressions in electronic circular dichroism spectra of carbohelicenes revealed by linear response calculations

Published:2022 Issue:32 Volume:24 Page:19321-19332
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Brand Manuel¹^ORCID,Norman Patrick¹^ORCID

Affiliation:

1. Department of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology and Health, KTH Royal Institute of Technology, SE-106 91 Stockholm, Sweden

Abstract

We present large-scale first-principles calculations of carbohelicenes up to CH[30]. Novel findings include the system size-dependent emergence and dominance of circular dichroism bands.

Funder

Vetenskapsrådet

European Commission

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP02371G

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