Solid-state spectroscopic and structural investigation of cis-(CH 3)2Au(O,O′-acac)

Abstract

The structure of cis-(CH3)2Au(O,O′-acac) was investigated by single-crystal X-ray diffraction. It crystallizes in the orthorhombic space group Cmca with unit cell dimensions a = 6.7831(13) Å, b = 15.080(3) Å, c = 18.073(3) Å and α = β = γ = 90°. The molecule is planar but lacks a C2 axis in the solid-state, with two Au-C bond lengths that differ by 0.078(21) Å due to crystal packing effects. The inequivalence of the crystallographic carbon positions is evident in the solid-state 13C CP-MAS NMR spectrum, which was recorded at low temperature due to the thermal sensitivity of the compound during magic-angle spinning. Head-to-tail stacking, which creates short intermolecular paths, was reproduced computationally in a dimer model. © 2008 Springer Science+Business Media, LLC.