Coexistence of dihydrogen, blue- and red-shifting hydrogen bonds in an ultrasmall system: Valine

被引:50
作者
Yu, WB
Lin, ZJ [1 ]
Huang, ZJ
机构
[1] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China
[2] Univ Sci & Technol China, Dept Phys, Hefei 230026, Peoples R China
关键词
ab initio calculations; conformation analysis; dihydrogen bonds; hydrogen bonds; valine;
D O I
10.1002/cphc.200500721
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
(Figure presented) Conformational space of valine: Dihydrogen, blue- and red-shifting H bonds coexist in the single molecule, valine (see picture). All functional groups of valine participate in H bonding and the amino and carboxyl group play the dual role of H-bond donor and acceptor. As all known H-bond types coexist in valine, a unifying concept of hydrogen bonding is depicted. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.
引用
收藏
页码:828 / 830
页数:3
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