Electric field effect observed on the infrared spectra of the N2O molecule adsorbed in NaA zeolite

Autor: N. Bras, E. Cohen De Lara
Rok vydání: 1995
Předmět:
Zdroj: The Journal of Chemical Physics. 102:6990-6999
ISSN: 1089-7690
0021-9606
DOI: 10.1063/1.469092
Popis: The spectrum of the N2O molecule adsorbed in the cavity of NaA zeolite presents two main components for each of the stretching vibrational modes. It is assumed that they correspond to molecules parallel and antiparallel to the electric field of the inner surface of the zeolite cavity. In order to verify this assumption, the frequency shifts and the intensities of these components have been calculated for the two orientations of the molecule with respect to the field, by applying the model of Bishop for the vibrational Stark effect. These calculations require the knowledge of molecular quantities such as derivatives of permanent electric moments and polarizability.
Databáze: OpenAIRE