Journal of Chemical Physics, Vol.105, No.9, 3466-3471, 1996
Microwave Measurements of the Gas-Phase Molecular-Structure of Cobalt Tetracarbonyl Hydride
Microwave rotational spectra for six isotopomers of HCo(CO)(4) were measured using a Flygare-Balle type spectrometer. Transitions were measured in the 4-10 GHz range. The data were analyzed to obtain rotational constants, Co-59 quadrupole coupling strengths, distortion constants and spin-rotation interaction strengths. The common isotopomer is clearly a symmetric top, with C-3v symmetry. For the common isotopomer B=1131.7212(9) MHz and eQq(Co-59)=116.62(3) MHz. The rotational constants were used to determine the complete, three-dimensional structure of this complex. The measured H-Co bond length of 1.52(2) Angstrom is significantly shorter than the previous value from electron diffraction work. Other structural parameters for this complex are reported and discussed.
Keywords:TRANSITION-METAL HYDRIDES;COMPLEXES;SPECTRUM;MECHANISM;MANGANESE;CARBONYLS;HCO(CO)4;NITROGEN