Millimeter-Wave Rotational Spectrum, Barrier to Internal Rotation, and DFT Calculation of o-Tolunitrile | Zendy

A.I. Jaman | Zendy; P. Hemant Kumar | Zendy; Prakriti Ranjan Bangal | Zendy

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Millimeter-Wave Rotational Spectrum, Barrier to Internal Rotation, and DFT Calculation of o-Tolunitrile

Author(s) -

A.I. Jaman,

P. Hemant Kumar,

Prakriti Ranjan Bangal

Publication year - 2011

Publication title -

journal of atomic molecular and optical physics

Language(s) - English

Resource type - Journals

eISSN - 1687-9236

pISSN - 1687-9228

DOI - 10.1155/2011/480396

Subject(s) - rotational spectrum , internal rotation , extremely high frequency , chemistry , millimeter , spectral line , rotation (mathematics) , ground state , atomic physics , rotational transition , spectrum (functional analysis) , rotational spectroscopy , molecular physics , physics , optics , geometry , angular momentum , quantum mechanics , mechanical engineering , mathematics , engineering

The millimeter-wave rotational spectra of o-tolunitrile (C6H4CH3CN) have been investigated in the ground torsional state in the frequency range 50.0–75.0 GHz. Many high-J rotational lines with large A-E splitting due to internal rotation of the methyl top have been assigned. A least squares analysis of the A-E splitting of 92 transitions resulted in the determination of accurate values of internal rotation parameters. The observed parameters were compared with the previously reported experimental values and DFT calculation results.

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