Abstract
The infrared spectrum of the AsD3 molecule has been measured in the region of the stretching fundamental bands on a Fourier transform spectrometer with a resolution of 0.0027 cm-1 and analyzed for the first time. More than 3300 normally allowed and in addition more than 900 forbidden, but perturbation-allowed transitions with Jmax upper=28 have been assigned to the bands ν1 and ν3. An effective Hamiltonian was used which takes into account the resonance interactions between the states (1000) and (0010). A set of 50 (26 diagonal and 24 resonance) refined spectroscopic parameters was obtained from the fit which reproduces the 1229 initial 'experimental' upper state ro-vibrational energies with an rms deviation of 0.00024 cm-1. The transition moment ratio |μ1:μ3| was determined to be 1.2±0.05, and the intensity perturbation μ1 ξ13 y μ3 found to be negative. The equilibrium values of the bond length rAs-D e=1.51130(11) A and interbond angle αD-As-D e=92.0775(40)̊ were determined from the values of the rotational parameters of the ground state and the four fundamental bands.
Original language | English |
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Pages (from-to) | 115-123 |
Number of pages | 9 |
Journal | Journal of Molecular Structure |
Volume | 780-781 |
Issue number | SPEC. ISS. |
DOIs | |
Publication status | Published - 3 Jan 2006 |
Keywords
- AsD3 molecule
- Equilibrium structure
- Spectroscopic parameters
- Stretching fundamentals
- Vibration-rotation spectra
ASJC Scopus subject areas
- Structural Biology
- Organic Chemistry
- Physical and Theoretical Chemistry
- Spectroscopy
- Atomic and Molecular Physics, and Optics
- Materials Science (miscellaneous)