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ID 37383
file
creator
Hashimoto, Takayo
Ito, Takafumi
Altunsu, Fuat
Brutschy, Bernhard
Tarakeshwar, P.
subject
L-Phenylalanine
Supersonic jet
hydrated clusters
IR-UV double resonance spectroscopy
NDC
Chemistry
abstract
IR-UV double resonance spectroscopy and ab initio calculations were employed to investigate the structures and vibrations of the aromatic amino acid, L-phenylalanine–(H2O)n clusters formed in a supersonic free jet. Our results indicate that up to three water molecules are preferentially bound to both the carbonyl oxygen and the carboxyl hydrogen of L-phenylalanine (L-Phe) in a bridged hydrogen-bonded conformation. As the number of water molecules is increased, the bridge becomes longer. Two isomers are found for L-Phe–(H2O)1, and both of them form a cyclic hydrogen-bond between the carboxyl group and the water molecule. In L-Phe–(H2O)2, only one isomer was identified, in which two water molecules form extended cyclic hydrogen bonds with the carboxyl group. In the calculated structure of L-Phe–(H2O)3 the bridge of water molecules becomes larger and exhibits an extended hydrogen-bond to the π-system. Finally, in isolated L-Phe, the D conformer was found to be the most stable conformer by the experiment and by the ab initio calculation.
description
The authors would like to acknowledge the support from the Grant-in-Aids for Scientific Research (18205003) by the Ministry of Education, Science, Sports, and Culture, Japan and from the French-German CNRS-DFG binational project. T. E. gratefully acknowledges financial support from Satake foundation.
journal title
Physical Chemistry Chemical Physics
volume
Volume 8
issue
Issue 41
start page
4783
end page
4791
date of issued
2006-09-14
publisher
Royal Society of Chemistry
issn
1463-9076
publisher doi
language
eng
nii type
Journal Article
HU type
Journal Articles
DCMI type
text
format
application/pdf
text version
author
rights
Copyright (c) the Owner Societies 2006
relation is version of URL
http://dx.doi.org/10.1039/B609229B
department
Graduate School of Science