OCCuI synthesized by reaction of laser-ablated Cu with a CH3I/CO/Ar mixture and characterised by pulsed-jet, Fourier-transform microwave spectroscopy

OCCuI, previously uncharacterised in the gas phase, was generated by the reaction of laser-ablated Cu with methyl iodide contained in a mixture of argon and CO. The CuI initially formed picks up CO to yield OCCuI. The rotational spectrum was observed by means of a pulsed-jet, Fourier-transform microwave spectrometer. The rotational constants B0, centrifugal distortion constants D0, nuclear quadrupole coupling constants and spin-rotation coupling constants for Cu and I were determined for the four isotopomers 16O12C63Cu127I, 16O12C65Cu127I, 18O12C63Cu127I and 16O13C63Cu127I. Geometries of the r0, rs and rm type are presented and changes in the electronic structure when OCCuI is formed from CuI are discussed.