Theoretical study on the structures, electronic properties, and aromaticity of thia[4]circulenes-Reference-Cited by-同舟云学术

Theoretical study on the structures, electronic properties, and aromaticity of thia[4]circulenes

Published:2022 Issue:47 Volume:46 Page:22703-22714
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Hashimoto Shingo¹,Kishi Ryohei²³⁴^ORCID,Tahara Kazukuni¹^ORCID

Affiliation:

1. Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571, Japan

2. Division of Chemical Engineering, Department of Materials Engineering Science, and Research Center for Solar Energy Chemistry (RCSEC), Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan

3. Center for Quantum Information and Quantum Biology (QIQB), Institute for Open and Transdisciplinary Research Initiatives, Osaka University, Toyonaka, Osaka 560-8531, Japan

4. Innovative Catalysis Science Division, Institute for Open and Transdisciplinary Research Initiatives (ICS-OTRI), Osaka University, Suita, Osaka 565-0871, Japan

Abstract

The structures, electronic properties, and aromaticity of a series of thia[4]circulenes are predicted using quantum chemical calculations.

Funder

Japan Society for the Promotion of Science

Tokuyama Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2022/NJ/D2NJ04359A

Reference110 articles.