The Far-Infrared Spectrum of Methoxymethanol (CH₃-O-CH₂OH): A Theoretical Study.

ABSTRACT: Methoxymethanol (CH₃OCH₂OH), an oxygenated volatile organic compound of low stability detected in the interstellar medium, represents an example of nonrigid organic molecules showing various interacting and inseparable large-amplitude motions. The species discloses a relevant coupling among torsional modes, strong enough to prevent complete assignments using effective Hamiltonians of reduced dimensionality. Theoretical models for rotational spectroscopy can improve if they treat three vibrational coordinates together. In this paper, the nonrigid properties and the far-infrared region are analyzed using highly correlated ab initio methods and a three-dimensional vibrational model. The molecule displays two gauche-gauche (CGcg and CGcg') and one trans</

SUBMITTER: Missaoui D 

PROVIDER: S-EPMC11194847 | biostudies-literature | 2024 Jun

REPOSITORIES: biostudies-literature