Artículos de revistas
Dipole Moment Derivatives, Polar Tensors, And Effective Charges Of Allene
Registro en:
Journal Of Physical Chemistry. , v. 84, n. 21, p. 2808 - 2813, 1980.
223654
2-s2.0-0001678106
Autor
Ramos M.N.
De Barros Neto B.
Bruns R.E.
Institución
Resumen
Preferred signs of the dipole moment derivatives (∂p/∂Qi) of allene and allene-d4 have been determined by using the vibrational intensity data recently published by Youngquist et al. Values of the dipole moment derivatives with respect to symmetry coordinates and of the atomic polar tensors are reported. Atomic effective charge values calculated from the polar tensors and by using the G sum rule are in good agreement. These values are similar to those found for the other hydrocarbons, except acetylene. © 1980 American Chemical Society. 84 21 2808 2813