Origin of intersystem crossing in highly distorted organic molecules: a case study with red light-absorbingN,N,O,O-boron-chelated Bodipys

Author:

Zhang Xue1ORCID,Sukhanov Andrey A.2ORCID,Liu Xi3,Taddei Maria4,Zhao Jianzhang1ORCID,Harriman Anthony5ORCID,Voronkova Violeta K.2ORCID,Wan Yan3ORCID,Dick Bernhard6ORCID,Di Donato Mariangela47ORCID

Affiliation:

1. State Key Laboratory of Fine Chemicals, Frontiers Science Center for Smart Materials, School of Chemical Engineering, Dalian University of Technology, Dalian 116024, P. R. China

2. Zavoisky Physical-Technical Institute, FRC Kazan Scientific Center of Russian Academy of Sciences, Kazan 420029, Russia

3. College of Chemistry, Beijing Normal University, Beijing 100875, P. R. China

4. LENS (European Laboratory for Non-Linear Spectroscopy), Via N. Carrara 1, 50019 Sesto Fiorentino (FI), Italy

5. Molecular Photonics Laboratory, School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne, NE1 7RU, UK

6. Lehrstuhl für Physikalische Chemie, Institut für Physikalische und Theoretische Chemie, Universität Regensburg, D-93053 Regensburg, Germany

7. ICCOM, Istituto di Chimica dei Complessi OrganoMetallici, Via Madonna del Piano 10, 50019 Sesto Fiorentino (FI), Italy

Abstract

A twisted π-conjugated framework does not necessarily promote efficacious ISC, energy matching of S1/Tnexcited states offers a more promising route to triplet enhancement.

Funder

National Natural Science Foundation of China

Dalian University of Technology

Fundamental Research Funds for the Central Universities

Horizon 2020 Framework Programme

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

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