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Solid-state Spectroscopic and Structural Investigation of cis-(CH3)2Au(O,O′-acac)

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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.

Graphical Abstract

Solid-state Spectroscopic and Structural Investigation of cis -(CH 3 ) Au 2 ( O , O ′-acac)

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

In the solid state, cis-(CH3)2Au(O,O′-acac) has no C2 axis, two different Au–C bond lengths (1.960, 2.038 Å; Δd = 0.078(21) Å) and a close Au–C…C–Au contact; these features give rise to additional features in the 13C CP-MAS NMR spectrum.

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Acknowledgements

This work was funded by the U.S. Department of Energy, Basic Energy Sciences, Catalysis Science Grant No. DE-FG02-03ER15467. The authors thank George Athens for assistance in recording the solid-state NMR spectrum. This work also made use of MRL Central Facilities supported by the MRSEC Program of the National Science Foundation, under award No. DMR05-20415.

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Correspondence to Susannah L. Scott.

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Hisamoto, M., Chattopadhyay, S., Eckert, J. et al. Solid-state Spectroscopic and Structural Investigation of cis-(CH3)2Au(O,O′-acac). J Chem Crystallogr 39, 173–177 (2009). https://doi.org/10.1007/s10870-008-9449-0

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