Microsolvation of CH+ in helium: An ab initio study

In the present study, microsolvation and interaction of the CH+ cation with Hen=1-8 clusters are investigated by means of ab initio calculations at MP2/aug-cc-pVTZ and QCISD/aug-cc-pVTZ levels. Stabilization energy of the studied complexes including BSSE and ZPE corrections are in the range of 1.8 and 11.6 kJ/mol. A good linear correlation is found between the stabilization energy and stretching frequency shift (∆ν) in the studied complexes. According to energy decomposition analysis, it is found that polarization effects are the major source of the attraction in these complexes.