Theoretical spectroscopic characterization of the B2Σ+ state of SiP and of the X2Π-B2Σ+ and A2Σ+-B2Σ+ 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. (C) 2001 Elsevier Science B.V. All rights reserved.