Inelastic scattering of interstellar silyl cyanide (SiH3CN) by helium atoms : cross-sections and rate coefficients for A- and E-SiH3CN

Rotational inelastic scattering of silyl cyanide (SiH3CN) molecule with helium (He) atoms is investigated. Three-dimensional potential energy surface (3D-PES) for the SiH3CN-He interacting system is carried out. The ab initio 3D-PES is computed using explicitly correlated coupled cluster approach with single, double, and perturbative triple excitation CCSD(T)-F12a connected to augmented-correlation consistent-polarized valence triple zeta Gaussian basis set. A global minimum at (R = 6.35bohr; theta = 90(circle); phi = 60(circle)) with a well depth of 52.99cm(-1) is pointed out. Inelastic rotational cross-sections are emphasized for the 22 first rotational levels for total energy up to 500cm(-1) via close coupling (CC) approach in the case of A-SiH3CN and for the 24 first rotational levels for total energy up to 100cm(-1) via CC and from 100 to 500cm(-1) via coupled states (CS) in the case of E-SiH3CN. Rate coefficients are derived for temperature until 80K for both A- and E-SiH3CN-He systems. Propensity rules are obtained for |Delta J| = 2 processes with broken parity for A-SiH3CN and for |Delta J| = 2 processes with |Delta K| = 0 and unbroken parity for E-SiH3CN.