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Journal of Spectroscopy
Volume 2013 (2013), Article ID 148903, 7 pages
http://dx.doi.org/10.1155/2013/148903
Research Article

Terahertz Time Domain, Raman and Fourier Transform Infrared Spectroscopy of Acrylamide, and the Application of Density Functional Theory

1School of Optical-Electrical and Computer Engineering, University of Shanghai for Science & Technology, Shanghai 200093, China
2King Saud University, P.O. Box 800, Riyadh 11421, Saudi Arabia
3Institute of Thermo Physics, School of Power Engineering, Chongqing University, Chongqing 400044, China
4Department of Computer and Software Engineering, Bahria University, Islamabad 44000, Pakistan

Received 29 August 2013; Revised 14 October 2013; Accepted 15 October 2013

Academic Editor: D. Sajan

Copyright © 2013 Ramzan Ullah 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

We present terahertz time domain spectra of acrylamide in the frequency range from 0.2 to 2 THz with nearly constant refractive index having an average value of 1.33 and an absorption coefficient. Raman (95–3000 cm−1) and FTIR (450–4000 cm−1) spectra also show good agreement with density functional theory (DFT) B3LYP 6-311G++ (3df 3pd) calculations except C-H and N-H stretching frequencies even after scaling with scale factor of 0.9679. We use MOLVIB to rescale such frequencies to match experimental values.