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Abstract
An extensive spectral assignment of the ππΊ-π― bands of H2S clusters up to tetramer in argon matrix have been carried out. Spectral bands within 2615-2651 cm-1 spectral range, which has hitherto been accepted as vibration-rotation transitions, have been assigned to clusters of different sizes along with ππ and ππ bands of monomer. Spectral shifts have been found to increase monotonically with size of cyclic clusters confirming cooperative nature of SβHβ§β§β§S H-bond.
Supplementary materials
Title
Electronic Supplementary Matrial
Description
Methodology, Optimized molecular geometries, IR spectra, Spectral assignment by past research groups, Unscaled and scaled normal mode frequencies, Relative populations of clusters
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