IR spectroscopy of monohydrated tryptamine cation: rearrangement of the intermolecular hydrogen bond induced by photoionization

Rearrangement of intermolecular hydrogen bond in a monohydrated tryptamine cation, [TRA(H(2)O)(1)](+), has been investigated in the gas phase by IR spectroscopy and quantum chemical calculations. In the S(0) state of TRA(H(2)O)(1), a water molecule is hydrogen-bonded to the N atom of the amino group...

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Veröffentlicht in:	The Journal of chemical physics 2012-12, Vol.137 (22), p.224311-224311
Hauptverfasser:	Sakota, Kenji, Kouno, Yuuki, Harada, Satoshi, Miyazaki, Mitsuhiko, Fujii, Masaaki, Sekiya, Hiroshi
Format:	Artikel
Sprache:	eng
Schlagworte:	Hydrogen Bonding Models, Molecular Molecular Conformation Photochemical Processes Quantum Theory Spectrophotometry, Infrared Tryptamines - chemistry Vibration Water - chemistry
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