Table of Contents
Journal of Atomic, Molecular, and Optical Physics
Volume 2011, Article ID 480396, 8 pages
http://dx.doi.org/10.1155/2011/480396
Research Article

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

1Experimental Condensed Matter Physics Division, Saha Institute of Nuclear Physics, Sector-1, Block-AF, Bidhannagar, Kolkata 700 064, India
2Inorganic and Physical Chemistry Division, Indian Institute of Chemical Technology, Uppal Road, Tarnaka, Hyderabad 500 607, India

Received 21 March 2011; Revised 15 June 2011; Accepted 16 June 2011

Academic Editor: Emil Proynov

Copyright © 2011 A. I. Jaman et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

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.