Alanine Water Complexes

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• 作者：Vanesa Vaquero ; M. Eugenia Sanz ; Isabel Pe帽a ; Santiago Mata ; Carlos Cabezas ; Juan C. L贸pez ; Jos茅 L. Alonso
• 刊名：Journal of Physical Chemistry A
• 出版年：2014
• 出版时间：April 10, 2014
• 年：2014
• 卷：118
• 期：14
• 页码：2584-2590
• 全文大小：273K
• 年卷期：v.118,no.14(April 10, 2014)
• ISSN：1520-5215

文摘

Two complexes of alanine with water, alanine鈥?H₂O)_n (n = 1,2), have been generated by laser ablation of the amino acid in a supersonic jet containing water vapor and characterized using Fourier transform microwave spectroscopy. In the observed complexes, water molecules bind to the carboxylic group of alanine acting as both proton donors and acceptors. In alanine鈥揌₂O, the water molecule establishes two intermolecular hydrogen bonds forming a six-membered cycle, while in alanine鈥?H₂O)₂ the two water molecules establish three hydrogen bonds forming an eight-membered ring. In both complexes, the amino acid moiety is in its neutral form and shows the conformation observed to be the most stable for the bare molecule. The microsolvation study of alanine鈥?H₂O)_n (n = 1,2) can be taken as a first step toward understanding bulk properties at a microscopic level.