A quantum mechanical study on CH

It is demonstrated on quantum mechanical grounds that the dissociative recombination of HSCNH+ with an electron, a reaction of interest to the chemistry of molecular interstellar clouds, leads either to HSCN or to HNCS. The HSCNH+ cation, thus far undiscovered in space, is therefore proposed as a precursor for both neutral interstellar species, while H2NCS+ (32 kJ/mol more stable than HSCNH+, according to our quantum-chemical calculations) can yield only HNCS. Calculations of potential energy surfaces were carried out for both cationic precursors