High-resolution infrared spectroscopy of13C12CD2: the bending states with υ4+υ5up to 3

The high-resolution infrared spectrum of deuterated acetylene containing one 13C atom, 13C12CD2, has been recorded by Fourier transform spectroscopy in the range 450–1700 cm−1. The υ4 and υ5 bending fundamental bands and a number of overtone, combination and hot bands were identified. In total, 3210 rotation vibration transitions were assigned to 27 bands involving bending states with both υ4 + υ5 and |l4 + l5| up to 3. The ground state and 13 vibrationally excited states were characterised, i.e., all the l-vibrational components of the excited bending manifolds with υ4 + υ5 up to 2, (IIΠ), (IIΠ), and (Π and Φ). Two simultaneous least-squares fits of all assigned transitions have been performed, one considering transitions with υ4 + υ5 up to 2, the other adding the transitions with υ4 + υ5 = 3. The model Hamiltonian adopted for the analysis takes into account the usual vibration and rotation l-type resonances within each vibrational manifold and the Darling−Dennison anharmonic resonance between and , and ...