Strong Duschinsky Mixing Induced Breakdown of Kasha's Rule in an Organic Phosphor.


Journal

The journal of physical chemistry letters
ISSN: 1948-7185
Titre abrégé: J Phys Chem Lett
Pays: United States
ID NLM: 101526034

Informations de publication

Date de publication:
07 Feb 2019
Historique:
pubmed: 9 1 2019
medline: 9 1 2019
entrez: 9 1 2019
Statut: ppublish

Résumé

We present the novel observation that Duschinsky mixings can lead to the breakdown of Kasha's rule in a white light phosphor molecule, dibenzo[ b, d]thiophen-2-yl (4-chlorophenyl)methanone. Our theoretical analyses show the energy gap between the T

Identifiants

pubmed: 30620609
doi: 10.1021/acs.jpclett.8b03624
doi:

Types de publication

Journal Article

Langues

eng

Pagination

369-374

Auteurs

Lopa Paul (L)

Department of Chemistry , University of Calcutta 92, A.P.C. Road , Kolkata 700 009 , India.

Torsha Moitra (T)

Department of Chemistry , Technical University of Denmark , Kemitorvet , 2800 Kgs. Lyngby , Denmark.

Kenneth Ruud (K)

Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry , University of Tromsø - The Arctic University of Norway , N-9037 Tromsø , Norway.

Swapan Chakrabarti (S)

Department of Chemistry , University of Calcutta 92, A.P.C. Road , Kolkata 700 009 , India.

Classifications MeSH