Abstract
Heroin, morphine and narcotine are very large molecules having 50, 40 and 53 atoms respectively. Moderately high resolution photoacoustic (PA) spectra have been recorded in 9.6 µm and 10.6 µm regions of CO2 laser. It is very difficult to assign the modes of vibrations for PA bands by comparison with conventional low resolution IR spectra. The ab initio quantum chemical calculations were used for determining the molecular geometries and normal mode frequencies of vibrations of these molecules for assignments of PA spectra.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
W D Breazley, J. Forensic Sci. 30, 915 (1985)
E C G Clarke, Clarke’s isolation and identification of drugs (The Pharmaceutical Press, London, 1986) pp. 747 and 749
P Pulay and G Fogarasi, J. Chem. Phys. 74, 3999 (1981)
P Pulay, G Fogarasi, F Pang and J E Boggs, J. Am. Chem. Soc. 101, 2550 (1979)
TURBOMOLE — A program package for ab initio calculations mainly based on the SCF level of theory by Hans Horn, M Christoph, Koelunel Michael Baer, Marco Haeser and R Ahlrichs, Quantum Chemistry Group, University Karlsruhe
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Prasad, R.L., Thakur, S.N. & Bhar, G.C. CO2 laser photoacoustic spectra and vibrational modes of heroin, morphine and narcotine. Pramana - J Phys 59, 487–496 (2002). https://doi.org/10.1007/s12043-002-0046-z
Received:
Revised:
Issue Date:
DOI: https://doi.org/10.1007/s12043-002-0046-z