A single-crystal electron paramagnetic resonance, 13C and 1H electron nuclear double resonance study of tetra-n-butylammonium-bis(1,2-dicyanoethylene-1,2-dithiolato)aurate(II),[(n-C4H9)4N]2[AuII(mnt)2]

A single-crystal electron paramagnetic resonance-electron nuclear double resonance study of C-13 enriched tetra-n-butylammonium-bis(1,2-dicyanoethylene-1,2-dithiolato)aurate(II), [(n-C4H9)(4)N](2)[Au-II(S2C2((CN)-C-13)(2))(2)], diluted diamagnetically in the diamagnetic Ni-II complex, is reported. The spin density on the enriched C atoms was found to be nearly 1%. Extended Huckel theory molecular orbital calculations on the title complex confirm the magnitude of the C-13 coupling and allow us to draw conclusions about the overall spin-density distribution. (C) 1998 Elsevier Science S.A. All rights reserved.