The Lamb-dip spectrum of methylcyanide: Precise rotational transition frequencies and improved ground-state rotational parameters

The HITRAN 2004 molecular spectroscopic database

“…Most of the additional groundstate data were published by Cazzoli and Puzzarini [481] and by Müller et al [482] . Information of the K level structure in the ground vibrational state is based on Anttila et al [483] and on the perturbations treated in Ref.…”

Equilibrium structure of methylcyanide

“…The empirical equilibrium structures have been obtained by using the experimental ground-state rotational constants available in the literature for 17 isotopic species [1,[17][18][19][20][21][22][23] and the corresponding vibrational corrections from the anharmonic force fields computed at either the (all)MP2/ cc-pwCVTZ or (all)CCSD(T)/cc-pwCVTZ levels of theory. It should be noted that the B rotational constants have essentially been employed in the least-squares fits, but also the A and C (when defined) rotational constants have been used when available.…”

The rotational spectrum of 17O2 up to the THz region

“…Measurements were performed using a frequencymodulated computer-controlled spectrometer working from 65 GHz up to 1.6 THz [12,13]. The actual frequency range considered is 230 GHz-1.06 THz.…”