Structural selection by microsolvation: Conformational locking of tryptamine
until further notice
SourceJournal of the American Chemical Society, 127, 29, (2005), pp. 10356-10364
Article / Letter to editor
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Molecular and Biophysics
Journal of the American Chemical Society
SubjectMolecular and Biophysics
The conformational space of tryptamine has been thoroughly investigated using rotationally resolved laser-induced fluorescence spectroscopy. Six conformers could be identified on the basis of the inertial parameters of several deuterated isotopomers. Upon attaching a single water molecule, the conformational space collapses into a single conformer. For the hydrogen-bonded water cluster, this conformer is identified unambiguously as tryptamine A. In the complex, the water molecule acts as proton donor with respect to the amino group. An additional interaction with one of the aromatic C-H bonds selectively stabilizes the observed conformer more than all other conformers. Ab initio calculations confirm much larger energy differences between the conformers of the water complex than between those of the monomers.
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