The electronic structures of the nonresonant Raman excited virtual states of 2-aminopyridine by 632.8 and 514.5Â nm excitations as evidenced by the bond polarizabilities

The bond polarizabilities of 2-aminopyridine are obtained from the Raman intensities by an algorithm proposed by Wu et al. [B. Tian, G. Wu, G. Liu, J. Chem. Phys. 87 (1987) 7300]. Their contrast to the bond electron densities by RHF/6-31G∗ shows clues to the electronic structures of its Raman excited virtual states. The differentiations by 514.5 and 632.8 nm excitations are stressed to show the flowing out of the electronic charges from the C-C bonds to the C-N bonds and toward the peripheral C-H and N-H bonds in the virtual states.