ja053237+_si_001.cif (18.91 kB)

Phosphorescent Excited State of [Au2{(Ph2Sb)2O}3]2+:  Jahn−Teller Distortion at Only One Gold(I) Center

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posted on 24.08.2005, 00:00 by Vilma R. Bojan, Eduardo J. Fernández, Antonio Laguna, José M. López-de-Luzuriaga, Miguel Monge, M. Elena Olmos, Cristian Silvestru
Dinuclear three-coordinate Au(I) complex [Au2{(Ph2Sb)2O}3](ClO4)2 1 displays an interesting phosphorescent behavior in which a large Stokes' shift is observed. Ab initio calculations show that the main distortion for the first triplet excited state, which is responsible for the luminescence behavior of complex 1, is a Jahn−Teller distortion for only one of the Au(I) centers together with a gold−gold distance shortening. This behavior could be extrapolated to other phosphorescent dinuclear three-coordinate Au(I) complexes.