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Terahertz Time Domain, Raman and Fourier Transform Infrared Spectroscopy of Acrylamide, and the Application of Density Functional Theory
Joint Authors
Aamir, Muhammad
Ullah, Ramzan
Ullah, Rasheed
Khan, Salah al-Din
Source
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-01-05
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
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.
American Psychological Association (APA)
Ullah, Ramzan& Khan, Salah al-Din& Aamir, Muhammad& Ullah, Rasheed. 2014. Terahertz Time Domain, Raman and Fourier Transform Infrared Spectroscopy of Acrylamide, and the Application of Density Functional Theory. Journal of Spectroscopy،Vol. 2013, no. 2013, pp.1-7.
https://search.emarefa.net/detail/BIM-449655
Modern Language Association (MLA)
Ullah, Ramzan…[et al.]. Terahertz Time Domain, Raman and Fourier Transform Infrared Spectroscopy of Acrylamide, and the Application of Density Functional Theory. Journal of Spectroscopy No. 2013 (2013), pp.1-7.
https://search.emarefa.net/detail/BIM-449655
American Medical Association (AMA)
Ullah, Ramzan& Khan, Salah al-Din& Aamir, Muhammad& Ullah, Rasheed. Terahertz Time Domain, Raman and Fourier Transform Infrared Spectroscopy of Acrylamide, and the Application of Density Functional Theory. Journal of Spectroscopy. 2014. Vol. 2013, no. 2013, pp.1-7.
https://search.emarefa.net/detail/BIM-449655
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-449655