Anharmonic resonances in monodeuteroacetylene (12C2HD)

Published data on the Fourier transform spectrum of 12C2HD in the overtone range, from Liévin et al. [Chem. Phys. 10 (1995) 419] and abbouti Temsamani and Herman [Mol. Phys. 79 (1993)], are revisited by taking into account the (1255) anharmonic resonance. A dedicated Hamiltonian is used to build interacting clusters. New vibrational parameters are obtained which account for previously reported anomalous spectral features.