Alternation of the spin-orbit coupling in the 2Pi ground state of HCnS n=1-12 radicals

Alexander Mitrushchenkov (1) , Roberto Linguerri (2) , Pavel Rosmus (1) , John P. Maier (3)

1 Chimie Theorique
2 Chimie Theorique
3 Unibas - Université de Bâle = University of Basel = Basel Universität

First-order calculations of spin-orbit constants, dipole moments and carbon-sulphur distances have been performed for the HC$_n$S $n=1-12$ radicals in the $^2\Pi$ electronic ground state. It is found that these molecular properties alternate with the even or odd number of carbon atoms in the chains.

Mots clés: Physical Sciences

Alexander Mitrushchenkov, Roberto Linguerri, Pavel Rosmus, John P. Maier. Alternation of the spin-orbit coupling in the 2Pi ground state of HCnS n=1-12 radicals. Molecular Physics, 2009, 107 (15), pp.1549-1553. ⟨10.1080/00268970902973842⟩. ⟨hal-00513294⟩