Anharmonic Spectroscopic Investigation of Tellurophene and Its Perdeuterated Isotopomer: Application of Second-Order Perturbation Theory
Figure 3
Deviation of the B3LYP/LANL2DZ(d,p) H→D isotopic wavenumber shifts () for the C–H and C–D stretching modes from experiment [12]. The reported values refer to the percentage deviations.
