화학공학소재연구정보센터
Chemical Physics Letters, Vol.335, No.5-6, 420-426, 2001
Theoretical spectroscopic characterization of the B-2 Sigma(+) state of SiP and of the X-2 Pi-B-2 Sigma(+) and A(2)Sigma(+)-B-2 Sigma(+) transitions
The B(2)Sigma (+) electronic state, and the (XII)-I-2-B(2)Sigma (+) and A(2)Sigma (+)-B(2)Sigma (+) transitions of the SiP molecule were characterized theoretically at a high-level of correlation treatment. Potential energy curves, dipole and transition moments, radiative transition probabilities, and radiative lifetimes are reported. Emission from the B state is presented as a possibility to spectroscopically characterize the ground state and the first excited A(2)Sigma (+) state with a T-e value of just 470 cm(-1). These transitions are predicted to lie in the blue region of the visible spectrum. SiP excited in the B state should have a radiative lifetime of 1.0 mus.