Elucidating the Electronic Structure of a Delayed Fluorescence Emitter via Orbital Interactions, Excitation Energy Components, Charge-Transfer Numbers, and Vibrational Reorganization Energies

Author:

Pei Zheng1,Ou Qi2ORCID,Mao Yuezhi3ORCID,Yang Junjie4,Lande Aurélien de la5ORCID,Plasser Felix6ORCID,Liang Wanzhen1ORCID,Shuai Zhigang2ORCID,Shao Yihan4ORCID

Affiliation:

1. State Key Laboratory of Physical Chemistry of Solid Surfaces, Collaborative Innovation Center of Chemistry for Energy Materials, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, P. R. China

2. MOE Key Laboratory of Organic OptoElectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, Beijing 100084, P. R. China

3. Department of Chemistry, Stanford University, Stanford, California 94305, United States

4. Department of Chemistry and Biochemistry, University of Oklahoma, Norman, Oklahoma 73019, United States

5. Laboratoire de Chimie Physique, Université Paris Sud, CNRS, Université Paris Saclay, 15 avenue Jean Perrin, F91405 Orsay, France

6. Department of Chemistry, Loughborough University, Loughborough, LE11 3TU, U.K.

Funder

Ministry of Science and Technology of the People's Republic of China

China Postdoctoral Science Foundation

Oklahoma Center for the Advancement of Science and Technology

Tsinghua University

National Natural Science Foundation of China

National Institute of General Medical Sciences

College of Art and Sciences, University of Oklahoma

Office of the Vice President of Research, University of Oklahoma

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

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