Work

A study of N2O vibrational excitations in the framework of an algebraic approach

Year: 2025

Type: article

Abstract: A study of the vibrational excitations of the 14 N 2 16 O molecule is presented. The description is based on a local algebraic model with dynamical algebra s u 1 ( 2 ) ⊕ s u ( 3 ) ⊕ s u 2 ( 2 ) . The model starts in configuration space with a polyad-conserving Hamiltonian expanded in terms of normal coordinates. The algebraic representation is obtained through the usual bosonic realization of the normal modes. A local algebraic representation of the Hamiltonian is obtained considering a canonical transformation from normal to local bosonic operators, which are later mapped to S U ( 3 ) and S U ( 2 ) Morse ladder operators. First, a vibrational study was carried out taking the 183 experimental energies available in MARVEL using a Hamiltonian with 33 parameters obtaining rms = 0 . 46 cm −1 . An additional analysis was performed including a set of 261 vibrational levels recorded in MARVEL, with 32 parameters and deviation rms = 0 . 68 cm −1 . In addition, we address the procedure to calculate IR/Raman intensities.

Source: Journal of Quantitative Spectroscopy and Radiative Transfer

DOI: 10.1016/j.jqsrt.2025.109704

Authors: O. Guzmán-Juárez, E. Suárez, R. Lemus

Institution: Universidad Nacional Autónoma de México

Language: English

Topic: Molecular Spectroscopy and Structure

Subfield: Spectroscopy

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $2,870

Funder: Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México