Electronic properties of the model organometallic polymer [M-C=C(N)]n (M = Cu(I), Ag(I), Au(I))

Abstract

The organometallic complexes of transition metal M = Cu(I), Ag(I), Au(I) with d10 electronic configuration have interesting optical, electronic and magnetic properties. It is possible to prepare the high functional organometallic polymer materials by coordinating π-conjugated organic molecules with d10 metals. According to the experimental structures, the model polymers [M-C≡C(N)]n are built up and quantum chemistry methods are used to calculate their properties. It is indicated from theoretical analysis that the organometallic polymers would have comparable conductivity when interactions exist between metals and π electrons of different chains. © 1999 Materials Research Society.