AB INITIO APPROACH TO UNCOVER TRYPTAMINE CONFORMERS OBSERVED IN 1C R2PI SPECTRUM
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Date
1993
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Ohio State University
Abstract
The jet-cooled one color resonant two-photon ionization (1C R2Pl) spectrum of tryptamine has been obtained. Within the first $200 cm^{-1}$ of the excitation spectrum, several vibronic origin ($0^{0}_{0}$) transitions have been observed. These vibronic origins can be attributed to different conformers of tryptamine. A theoretical approach was employed to uncover the possible conformers. By performing ab initio calculations, four local minima structures of tryptamine were revealed. The structure of these conformers along with a tentative vibronic analysis of the 1C R2PI spectrum will be presented. The vibronic analysis of tryptamine was based on the vibronic analysis of indole and the ground state fundamental vibrational modes of tryptamine. The fundamental vibrational modes of tryptamine were assigned through the aid of an ab initio frequency calculation and were based on the fundamental vibrational mode assignments of indole.
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Author Institution: Department of Chemistry, The University of Michigan