Carbonyl gold iodide, OCAuI, is generated in the gas phase through synchronising the laser ablation of a gold sample with the pulsed, supersonic expansion of gas containing carbon monoxide and an iodine precursor. Fourier Transform microwave (FT-MW) spectroscopy has been used to detect and assign lines in the pure rotational spectrum of the molecule. The frequencies of lines in the spectra of three isotopomers are presented and used to determine rotational, centrifugal distortion and hyperfine coupling constants through iterative least-squares fitting. Rotational constants, B 0 , of the three isotopomers allow a determination of the r 0 molecular geometry. The structure is linear. The bond lengths are consistent with previous studies of OCMX complexes (M=Cu, Ag, Au; X=F, Cl, Br, I). The frequency of the lowest energy vibrational stretching mode is estimated from the centrifugal distortion constant of the 16 O 12 CAuI isotopomer. The nuclear quadrupole coupling constants of both iodine, I aa χ , and gold, Au aa χ , have been determined. The ionic character of the Au-I bond is calculated using I aa χ. Nuclear shielding parameters for OCAuI and other OCAuX species are determined from the measured nuclear spin-rotation constants, M bb C and X bb C .

Carbonyl gold iodide, OCAuI, is generated in the gas phase through synchronising the laser ablation of a gold sample with the pulsed, supersonic expansion of gas containing carbon monoxide and an iodine precursor. Fourier Transform microwave (FT-MW) spectroscopy has been used to detect and assign lines in the pure rotational spectrum of the molecule. The frequencies of lines in the spectra of three isotopomers are presented and used to determine rotational, centrifugal distortion and hyperfine coupling constants through iterative least-squares fitting. Rotational constants, B 0 , of the three isotopomers allow a determination of the r 0 molecular geometry. The structure is linear. The bond lengths are consistent with previous studies of OCMX complexes (M=Cu, Ag, Au; X=F, Cl, Br, I). The frequency of the lowest energy vibrational stretching mode is estimated from the centrifugal distortion constant of the 16 O 12 CAuI isotopomer. The nuclear quadrupole coupling constants of both iodine, I aa χ , and gold, Au aa χ , have been determined. The ionic character of the Au-I bond is calculated using I aa χ. Nuclear shielding parameters for OCAuI and other OCAuX species are determined from the measured nuclear spin-rotation constants, M bb C and X bb C .

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