STUDY OF THE INTERNAL DYNAMICS OF NON PLANAR PYRAMIDAL MOLECULES IN VIBRATIONALY VERY EXCITED STATES.

From the U (p+1) formalism, we built a Hamiltonian adapted to the stretching modes of nonplanar XY3 molecules having the C3v group of geometrical invariance. This Hamiltonian is then coupled with two possible Hamiltonians describing the bending modes of these molecular system: a) based on the U (p+1) approach, a bending Hamiltonian is developed and the interaction between the bending and the stretching modes is taking into account through adapted 2:1 resonance coupling operator defined as a Us(4) x Ub(4) enveloping algebra operator ; b) based on the standard normal modes formalism, a bending modes Hamiltonian is expanded and the 2:1 interaction is taken into account as a tensorial product o…

On the study of the vibrational energy levels of Arsine molecule

Abstract We compare two formalisms applied to the vibrational modes of the molecule of AsH 3 of C 3 v molecular symmetry group. Indeed, the close stretching modes of this molecule may be considered as those of a three-dimensional oscillator whereas the bending modes may be considered either as a one-dimensional oscillator of symmetry A 1 and a two-dimensional oscillator of symmetry E or as an approximate three-dimensional oscillator. So, we have applied the U ( p  + 1) formalism to the both stretching and bending modes and introduced coupling terms acting on an appropriate coupled vibrational basis through a local mode formalism. We have then compared the result of our fitting with those ob…

Algebraic Study of XYn Molecules in Vibrationaly High Excited States

Vibrational Spectrum of Phosphine Molecule

Vibrational modes of the stibine molecule

International audience; In this paper, we use the algebraic approach to describe the vibrational modes of stibine molecule (of C3v molecular symmetry group) up to 21 quanta. As the stibine molecule exhibits stretch-bend resonances, we build an algebraic pyramidal coupling operator between stretching modes and bending modes adapted to this molecule. The standard deviation associated to the fit of the vibrational levels is 1.75 cm-1.

U(p+1) : Application aux états moléculaires très excités.

International audience