화학공학소재연구정보센터
Journal of Chemical Physics, Vol.113, No.12, 4896-4900, 2000
Permanent electric dipoles in B (1)Pi and D (1)Pi states of NaRb: Experiment and theory
The paper presents experimentally obtained permanent electric dipole moment values (mu) in electronically excited B (1)Pi and D (1)Pi states of (NaRb)-Na-23-Rb-85 and (NaRb)-Na-23-Rb-87 isotopomer molecules for a number of vibrational and rotational levels (v',J'). The method is based on measuring relative intensities of "forbidden" fluorescence lines appearing due to dc Stark effect induced e/f parity mixing for a particular (v',J')-level, combined with electric radio frequency-optical double resonance measurement of Lambda-splitting energy Delta(e,f). The measured D (1)Pi state mu values are close to 6 D, representing minor changes with the vibrational level v' varying from 0 to 12 and J' in the region between 7 and 50, while the measured B (1)Pi state mu values are about 3 D for v'=4, 5 and 6. The X (1)Sigma(+), B (1)Pi, and D (1)Pi dipole moment functions mu(R) are calculated ab initio using the many body multipartitioning perturbation theory for explicit treatment of core-valence correlations. The theoretical and experimental dipole moment estimates are in a perfect agreement for the ground state and the D (1)Pi state, differing by 15%-25% for the B (1)Pi state.