Significance of Vibronic Coupling that Shapes Circularly Polarized Luminescence of Double Helicenes

Mori, Tadashi

Angewandte Chemie - International Edition, 2024, 63(16), e202319702

アクセス数:176件（2025-08-28 22:49 集計）

固定URL: https://hdl.handle.net/11094/95273

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タイトル
Significance of Vibronic Coupling that Shapes Circularly Polarized Luminescence of Double Helicenes
著者
NRID
1000070311769 1000070311769
ORCID
0000-0003-3918-0873 0000-0003-3918-0873
researchmap permalink
dr.tadashi.mori dr.tadashi.mori
Scopus Author ID
7407257253 7407257253
著者名
Mori, Tadashi
キーワード等
double helicenes
Duschinsky effect
Franck-Condon effect
Herzberg-Teller effect
vibronic emission spectra
内容
Mori T., . Significance of Vibronic Coupling that Shapes Circularly Polarized Luminescence of Double Helicenes. Angewandte Chemie - International Edition 63, e202319702 (2024); https://doi.org/10.1002/anie.202319702.
抄録
The circularly polarized luminescence (CPL) spectra of S- and X-shaped double helicenes exhibit distinct vibrational structures and overall shape variations. In this study, we conducted an in-depth investigation into the vibronic effects influencing the CPL spectra of two double helicenes, namely DPC and DNH. Employing state-of-the-art computations utilizing the FC-HT1|VH model at the CAM−B3LYP/def2-TZVP level, we unveiled the paramount impact of Franck–Condon (FC), Herzberg-Teller (HT), and Duschinsky effects on their chiroptical responses. Our research underscores the pivotal role of structural deformations associated with the S1-to-S0 electronic transition in molding CPL spectra and wavelength-dependent dissymmetry (g) factor values, as well as the significance of HT effects in shaping and enhancing CPL responses. This extensive investigation not only advances our comprehension of the vibronic characteristics in configurationally distinct double helicenes but also offers valuable insights for the design of chiral molecules featuring controllable or finely-tunable CPL responses.
出版者
John Wiley and Sons Inc
収録物名
Angewandte Chemie - International Edition
巻(号)
63(16)
ページ
e202319702
刊行年月
2024-04-15
言語
英語
ハンドルURL
https://hdl.handle.net/11094/95273
PISSN
14337851
eISSN
15213773
関連情報 (isIdenticalTo)
DOI (出版社版)
https://doi.org/10.1002/anie.202319702
アクセス権
open access
権利情報
This article is licensed under a Creative Commons Attribution 4.0 International License.
出版タイプ
Version of Record
カテゴリ
学術雑誌論文 Journal Article