Infrared laser jet spectroscopy of the v₆ fundamental band of W(CO)₆: Rotational structure and octahedral splitting

Infrared laser absorption spectroscopy in conjunction with a cold molecular beam of W(CO)₆ has yielded the rotationally resolved spectrum of this spherical top molecule near 2000 cm^-1. Octahedral splitting has been resolved for the first time and is analyzed using the highly spherical top data system (hTDS) developed at Dijon. In addition, a perpendicular band of the symmetric top molecule W(¹²C ¹⁶O)^{5 13}C ₁₆O was observed in natural abundance. The spectroscopic parameters derived for this molecule, together with electron-diffraction data, provided a value for B₀ of the dominant isotopomer, and a check on the consistency of the analysis of the spectra.