Photophysical Studies and Excited-State Structure of a Blue Phosphorescent Gold−Thallium Complex

The dinuclear complex {[Tl(η6-toluene)][Au(C6Cl5)2]} (1) displays
very intense blue phosphorescence and a rigidochromic behavior
in the solid state. The photophysical measurements in a glassy
solution display an oligomerization process via metal−metal
interactions. Density functional theory calculations show a distortion
of the aurate−thallium T shape in the lowest triplet excited state,
leading to a triplet metal-to-metal charge-transfer state.