Two Coupled Low-Barrier Large Amplitude Motions in 3,5-Dimethylanisole Studied by Microwave Spectroscopy.

ABSTRACT: The microwave spectrum of 3,5-dimethylanisole was recorded using a pulsed molecular jet Fourier transform microwave spectrometer, covering the frequency range from 2.0 to 26.5 GHz. Splittings from internal rotations of the syn-m and anti-m-methyl groups were observed, analyzed, and modeled using the XIAM and the ntop programs for a data set including 622 rotational lines. The torsional barriers of the syn-m and anti-m-methyl groups were determined to be 58.62367(53) cm^-1 and 36.28449(69) cm^-1, respectively. The low barriers to internal rotation of both methyl groups posed significant challenges for spectral analysis and modeling. The successful assignment was achieved using combination difference lo

SUBMITTER: Khemissi S 

PROVIDER: S-EPMC11945398 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature