The torsional barriers of two equivalent methyl internal rotations in 2,5-dimethylfuran investigated by microwave spectroscopy was written by Van, Vinh;Bruckhuisen, Jonas;Stahl, Wolfgang;Ilyushin, Vadim;Nguyen, Ha Vinh Lam. And the article was included in Journal of Molecular Spectroscopy in 2018.Related Products of 638-02-8 The following contents are mentioned in the article:
The microwave spectrum of 2,5-dimethylfuran was recorded using two pulsed mol. jet Fourier transform microwave spectrometers which cover the frequency range from 2 to 40 GHz. The internal rotations of two equivalent Me tops with a barrier height of approx. 439.15 cm-1 introduce torsional splittings of all rotational transitions in the spectrum. For the spectral anal., two different computer programs were applied and compared, the PAM-C2v-2tops code based on the principal axis method which treats several torsional states simultaneously, and the XIAM code based on the combined axis method, yielding accurate mol. parameters. The exptl. work was supplemented by quantum chem. calculations Two-dimensional potential energy surfaces depending on the torsional angles of both Me groups were calculated and parametrized. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Related Products of 638-02-8).
2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is used as starting material for the synthesis of bioactive molecules. The core structure is a part of various pharmaceutical substances and natural products. It is also used in the manufacturing of dyes such as thioindigo.Related Products of 638-02-8
Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem