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

Miyako Hisamoto, Swarup Chattopadhyay, Juergen Eckert, Guang Wu, Susannah L. Scott

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

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.

Original languageEnglish
Pages (from-to)173-177
Number of pages5
JournalJournal of Chemical Crystallography
Volume39
Issue number3
DOIs
StatePublished - Mar 2009

Keywords

  • Acetylacetonate
  • Crystal structure
  • Density functional theory
  • Gold(III)
  • Pi-stacking
  • Solid-state NMR

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