Near-Edge X-Ray Absorption Fine Structure Analyses Of The Chain Model Of Solid Cs2

The S K-shell near-edge x-ray absorption fine structure spectra of solid CS2 have been calculated by means of the multiple-scattering cluster method. The results show the existence of two kinds of absorption spectra which correspond to single-bond (C-S) and double-bond (C=S), respectively, and their superposition of the two spectra fits the experimental spectrum well. Our calculation supports the zigzag chain model of solid CS2 with C-C distance of 3.60+/-0.01 Angstrom.