Bibliographic Details
| Title: |
Photoproduction of Loop Currents in Coronene Isomers Without Any Applied Magnetic Field |
| Authors: |
Jun Ohara, Shoji Yamamoto |
| Source: |
Solids, Vol 5, Iss 4, Pp 640-650 (2024) |
| Publisher Information: |
MDPI AG, 2024. |
| Publication Year: |
2024 |
| Collection: |
LCC:Chemistry |
| Subject Terms: |
polycyclic aromatic hydrocarbon, coronene, loop current, photoinduced dynamics, Chemistry, QD1-999 |
| More Details: |
Applying an extended Peierls–Hubbard model to π electrons in a coronene isomer, we investigate their ground-state properties and photoinduced dynamics with particular interest in possible loop current states. Once we switch on a static magnetic field perpendicular to the coronene disk, diamagnetic (diatropic) and paramagnetic (paratropic) loop currents appear on the rim circuit and inner hub, respectively. Besides this well-known homocentric two-loop current state, heterocentric multiloop current states can be stabilized by virtue of possible electron–lattice coupling. These multiloop current states generally have a larger diamagnetic moment than the conventional two-loop one, and hence it follows that coronene, or possibly polycyclic conjugated hydrocarbons in general, may become more aromatic than otherwise with their π electrons being coupled to phonons. When we photoirradiate a ground-state coronene isomer without applying a static magnetic field, loop currents are induced in keeping with the incident light polarization. Linearly and circularly polarized lights induce heterocentric two-loop and multiloop currents, respectively, without and together with two homocentric loop currents of the conventional type, respectively. The heterocentric two-loop currents occur in a mirror-symmetric manner, which reads as the emergence of a pair of antiparallel magnetic moments, whereas the heterocentric multiloop ones appear at random in both space and time, which reads as the emergence of disordered local magnetic moments. |
| Document Type: |
article |
| File Description: |
electronic resource |
| Language: |
English |
| ISSN: |
2673-6497 |
| Relation: |
https://www.mdpi.com/2673-6497/5/4/43; https://doaj.org/toc/2673-6497 |
| DOI: |
10.3390/solids5040043 |
| Access URL: |
https://doaj.org/article/893d8cd8d2724cc0b29f03cf5045b121 |
| Accession Number: |
edsdoj.893d8cd8d2724cc0b29f03cf5045b121 |
| Database: |
Directory of Open Access Journals |
