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Issue 47, 2014
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Semi-quantitative assessment of the intersystem crossing rate: an extension of the El-Sayed rule to the emissive transition metal complexes

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Abstract

The main goal of this study is to provide systematic elucidation of the parameters that influence S → T intersystem crossing (ISC). Particular attention is paid to: (i) the computation of Sn → Tm spin–orbit coupling strength based on a non-adiabatic approach, (ii) crucial factors that facilitate ISC, such as the atomic number, ligand structure, and particularly the types of electronic transition, (iii) formulating a discussion on the standpoints of the fundamental photophysical theory. Combining the theoretical and empirical approaches, we then make semi-quantitative assessment of the ISC rate for certain representative transition metal (TM) complexes, the results of which allow us to develop a set of empirical rules that harness ISC for organometallics analogous to El-Sayed's rule for the classic organic compounds. We therefore present a critical and timely theoretical approach with the results matching quantitatively the experimental data, which serves as a prototype to access the photophysics of TM complexes in a facile and precise manner beneficial to researchers in the field of optoelectronics.

Graphical abstract: Semi-quantitative assessment of the intersystem crossing rate: an extension of the El-Sayed rule to the emissive transition metal complexes

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Article information


Submitted
08 Aug 2014
Accepted
27 Oct 2014
First published
03 Nov 2014

Phys. Chem. Chem. Phys., 2014,16, 26184-26192
Article type
Paper

Semi-quantitative assessment of the intersystem crossing rate: an extension of the El-Sayed rule to the emissive transition metal complexes

E. Yu-Tzu Li, T. Jiang, Y. Chi and P. Chou, Phys. Chem. Chem. Phys., 2014, 16, 26184
DOI: 10.1039/C4CP03540B

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