Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design

Marsel Z. Shafikov*, Ruth Daniels, Valery N. Kozhevnikov

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

35 Citations (Scopus)
56 Downloads (Pure)


The design and detailed photophysical study of two novel Ir(III) complexes featuring mono- and dinuclear design are presented. Emission quantum yield and decay times in solution are φPL = 90% and τ(300 K) = 1.16 μs for the mononuclear complex 5, and φPL = 95% and τ(300 K) = 0.44 μs for the dinuclear complex 6. These data indicate an almost 3-fold increase in the phosphorescence rate for dinuclear complex 6 compared to 5. Zero-field splitting (ZFS) of the T1 state also increases from ZFS = 65 cm-1 for the mononuclear complex to ZFS = 205 cm-1 for the dinuclear complex and is accompanied by a drastic shortening of the individual decay times of T1 substates. With the help of TD-DFT calculations, we rationalize that the drastic changes in the T1 state properties in the dinuclear complex originate from an increased number of excited states available for direct spin-orbit coupling (SOC) routes as a result of electronic coupling of Ir-Cl antibonding molecular orbitals of the two coordination sites.

Original languageEnglish
Pages (from-to)7015-7024
Number of pages10
JournalJournal of Physical Chemistry Letters
Issue number22
Early online date22 Oct 2019
Publication statusPublished - 21 Nov 2019


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