Millimeter-Wave Rotational Spectrum, Barrier to Internal Rotation, and DFT Calculation of o-Tolunitrile-Reference-Cited by-同舟云学术

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

Published:2011-07-26 Issue: Volume:2011 Page:1-8
ISSN:1687-9228
Container-title:Journal of Atomic, Molecular, and Optical Physics
language:en
Short-container-title:Journal of Atomic, Molecular, and Optical Physics

Author:

Jaman A. I.¹,Kumar P. Hemant²,Bangal P. R.²

Affiliation:

1. Experimental Condensed Matter Physics Division, Saha Institute of Nuclear Physics, Sector-1, Block-AF, Bidhannagar, Kolkata 700 064, India

2. Inorganic and Physical Chemistry Division, Indian Institute of Chemical Technology, Uppal Road, Tarnaka, Hyderabad 500 607, India

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.

Funder

Department of Science and Technology, Ministry of Science and Technology

Publisher

Hindawi Limited

Subject

General Medicine

Link

http://downloads.hindawi.com/archive/2011/480396.pdf

Reference21 articles.

1. Mikrowellenspektrum, Hinderungspotential der internen Rotation und Dipolmoment des Toluols

2. Microwave Spectrum, Barrier to Internal Rotation, and Torsion–Vibration Interaction in ortho‐Fluoro Toluene

3. Mikrowellenspektrum, Hinderungspotential der internen Rotation und Dipolmoment des meta-Fluortoluols