New Crystal Structure of Molecular Complex 1-Piperidine Carboxylate-Piperidinium-H_2O Studied by X-Ray Single Crystal Diffraction

作     者：JIANG Huiming ZHANG Shubiao JIN Rongchao MA Yunhua 

作者机构：College of Life Science Dalian Nationalities University Dalian 116600 Liaoning China Department of Chemistry Carnegie Mellon University Pittsburgh PA 15213 USA 

出 版 物：《Wuhan University Journal of Natural Sciences》 (武汉大学学报（自然科学英文版）)

年 卷 期：2007年第12卷第6期

页      面：1099-1104页

学科分类：07[理学] 070205[理学-凝聚态物理] 08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 0702[理学-物理学] 

基　　金：Supported by Project of Education Department of Liaoning Province(20040084) 

主　　题：piperidine molecular complex hydrogen bond electron transfer single crystal 

摘      要：Piperidine absorbs CO2 and H2O in air to form a molecular complex： piperidium-l-piperidinecarboxylate-H2O. The structure of the complex was characterized by X-ray single crystal diffraction. The crystal structure was determined to be triclinic, space group P1^-with a=0.648 6（8） nm, b=0.809 200） nm, c= 1.357 1（16） nm, a=96.96706）°, β =102.506（15）°,γ=104.202 05）°, Z=2. The complex is stabilized via five hydrogen bonds between the three components, N-O electrostatic interaction and O-O interaction （electron transfer） betweenl-piperidinecarboxylate and H2O. Due to electron transference of carbamate ion, the oxygen atom in water molecule is strongly negatively charged and the O-H bond is considerably shorter than that of the free molecule of water. The formation of the molecular complex is a reversible process and will decompose upon heating. The mechanism of formation and stabilization is further investigated herein.