A DFT Investigation of Anion Photoelectron Spectroscopy and Franck Condon Spectroscopy of Cadmium Sulphide Clusters
Photoelectron Spectroscopy of Cadmium Sulphide Clusters
Abstract
This report involves density functional theory based study on CdS clusters to investigate electronic and vibronic properties of CdS and (CdS)2 clusters in neutral and anionic forms keeping spin multiplicity into account. The symmetric CdS has one mode of vibration in infrared region (IR) but non-symmetric cluster (CdS)2 exhibits six modes out of which three are active in IR region. The franck condon (FC) spectrum for (CdS) clusters exhibits the enhancement of FC factors by the increase in the number of atoms. The transformation from excited to ground state seems to be most likely and the most intense vibronic transition correspond to FC of 0.988 for CdS and 0.933 for (CdS)2 cluster.