The infrared spectrum of the PD3 molecule has been measured in the region of the first stretching overtone bands on a Fourier transform spectrometer with a resolution of 0.0068 cm-1 and analyzed for the first time. More than 800 transitions with Jmax = 15 have been assigned to the bands 2v1 and v1 + v3. An effective Hamiltonian was used which takes into account both the presence of resonance interactions between the states (2000) and (1010), and interactions of these with the third stretching vibrational state of the v = 2 polyad, (0020). A set of 44 spectroscopic parameters is obtained from the fit. This reproduces the 305 initial "experimental" upper rovibrational energies with an rms = 0.0015 cm-1.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Physical and Theoretical Chemistry