Jump to main content
Jump to site search

Issue 47, 2014
Previous Article Next Article

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

Author affiliations

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

Back to tab navigation

Supplementary files

Publication details

The article was received on 08 Aug 2014, accepted on 27 Oct 2014 and first published on 03 Nov 2014


Article type: Paper
DOI: 10.1039/C4CP03540B
Citation: Phys. Chem. Chem. Phys., 2014,16, 26184-26192
  •   Request permissions

    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

Search articles by author

Spotlight

Advertisements