Issue 17, 2018

Thermal equilibration between excited states or solvent effects: unveiling the origins of anomalous emissions in heteroleptic Ru(ii) complexes

Abstract

In this manuscript we present a computational study on the photoluminescence properties of several heteroleptic [Ru(H)(CO)(N^N)(tpp)2]+ complexes (tpp = triphenylphosphine). A special focus is set on disentangling the temperature-dependent emissive properties. Experimentally, when cooling a solution of [Ru(H)(CO)(dmphen)(tpp)2]+ (dmphen = 5,6-dimethyl-1,10-phenanthroline) from room to cryogenic temperature, a partial emission switch from metal-to-ligand charge transfer (3MLCT) to ligand-centered (3LC) phosphorescence is observed, resulting in dual photoluminescence. Two different origins of the anomalous emissions are possible, i.e., thermal equilibration between electronically excited states or different excited state solvent relaxation effects. Our calculations are in favor of the thermally equilibrated scenario. This computational investigation highlights the importance of controlling the temperature-dependent emissive behavior for optoelectronic applications.

Graphical abstract: Thermal equilibration between excited states or solvent effects: unveiling the origins of anomalous emissions in heteroleptic Ru(ii) complexes

Article information

Article type
Communication
Submitted
16 2月 2018
Accepted
03 4月 2018
First published
04 4月 2018

Phys. Chem. Chem. Phys., 2018,20, 11559-11563

Thermal equilibration between excited states or solvent effects: unveiling the origins of anomalous emissions in heteroleptic Ru(II) complexes

D. Jacquemin and D. Escudero, Phys. Chem. Chem. Phys., 2018, 20, 11559 DOI: 10.1039/C8CP01101J

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