Fourier transform infrared spectra and molecular structure of 5-methoxytryptamine,N-acetyl-5-methoxytryptamine and N-phenylsulfonamide-5-methoxytryptamine |
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Authors: | Bayari S Ide S |
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Affiliation: | Department of Physics, Faculty of Education, Hacettepe University, Beytepe, 06532, Ankara, Turkey. bayari@hacettepe.edu.tr |
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Abstract: | 5-Methoxytryptamine (5-MT) is a potent antioxidant and has radioprotective action. N-acetyl-5-methoxytryptamine (melatonin, NA-5-MT) is a free radical scavenger and antioxidant, which protects against oxidative damage due to a variety of toxicants. The infrared spectra of 5-MT, NA-5-MT and new synthesized N-phenylsulfonamide-5-methoxytryptamine (PS-5-MT) were investigated in the region between 4000 and 400 cm(-1). Vibrational assignments of the molecules have been made for fundamental modes on the basis of the group vibrational concept, infrared intensity and comparison with the assignments for related molecules. X-ray powder diffraction patterns of molecules were also recorded. In order to optimize the geometries of the molecules, molecular mechanic calculations (MM3) were performed. Conformational analysis of 5-MT, NA-5-MT and PS-5-MT was also established by the using PM3 method. |
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