The Raman, IR, and NMR Spectra and the Structures of R-Se-H, R-Se-R and R-Se-Se-R (R=CH_3 , C_2H_5)

摘要

The previous literature have assigned the spectra of R-Se-H, R-Se-R, and R-Se- -Se-R on the basis of Cs, C2v, and C2v (or C2) symmetry, respectively. These symmetries for the molecules seem to be lower than those derived from the present authors′ spectra. In the previous literature, rotation-vibrational band contours of one fundamental would wrongly be taken as plural fundamentals. Such false ones would cause a molecule to be of lower symmetry. In addition, it strongly supports D3d for CH3-Se-CH3 and CH3-Se-Se-CH3 that the rule of mutual exclusion holds between Raman and IR frequenlitting in NMR. C2H5- and C2H5-Se-Se-C2H5 seem to be of non-rigid D3d.