Theoretical study of spectroscopic constants and molecular properties of SiX~+(X=F,S,P,Cl,Br) cation

Structure,spectroscopic constants and molecular properties of several cations SiX+(X=F,Cl,S,P,Br) in their ground states have been studied in detail using HF/DF B3LYP method together with a series of doubly augmented correction consistent basis sets d-aug-cc-pVxZ (x=D,T,Q,5,6).The values of complete basis set(CBS) limit have also been extracted.The consistency of the calculated values of spectroscopic constants and molecular properties of these ions agree well with the experimental and theoretical values wherever available.Part of spectroscopic constants of SiS+,SiP+ and SiBr+ are reported first.