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

来源：

CHEMPHYSCHEM | 2006年 / 7卷 / 04期

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

页码：828 / 830

页数：3

共 23 条

[1] Electronic basis of improper hydrogen bonding: A subtle balance of hyperconjugation and rehybridization [J].