Ligand-to-metal charge transfer excited states with unprecedented luminescence yield in fluid solution

Galina V Loukova; Wolfgang Huhn; Vladimir P Vasiliev; Vyatcheslav A Smirnov

doi:10.1021/jp0721797

Ligand-to-metal charge transfer excited states with unprecedented luminescence yield in fluid solution

J Phys Chem A. 2007 May 24;111(20):4117-21. doi: 10.1021/jp0721797. Epub 2007 May 3.

Authors

Galina V Loukova¹, Wolfgang Huhn, Vladimir P Vasiliev, Vyatcheslav A Smirnov

Affiliation

¹ Institute of Problems of Chemical Physics, Russian Academy of Sciences, 142432 Chernogolovka, Moscow Region, Russia. gloukova@cat.icp.ac.ru

PMID: 17474731
DOI: 10.1021/jp0721797

Abstract

A bridged d0 zirconocene dichloride is reported as a first group 4 metal complex possessing rare long-lived ligand-to-metal charge transfer (LMCT) excited states with high emission yields and excited-state lifetimes in fluid solutions (e.g., PhiLUM = 0.41 and tau = 17.6 micros in 1,2-dichlorobenzene at 20 degrees C). The basic emission parameters PhiLUM and tau are shown to be extremely solvent-dependent in fluids at room temperature. The first principle dependences of LMCT emission parameters on solvent properties are revealed with use of the target complex. For fluid solutions, the linear correlation between PhiLUM and tau is reported, thus suggesting that a solvent determines the rate constant for nonradiative decay, knr.