Covalency of the hydrogen bond in ice: A direct x-ray measurement

被引：348

作者：

Isaacs, ED ^{[1
]}

Shukla, A

Platzman, PM

Hamann, DR

Barbiellini, B

Tulk, CA

机构：

[1] Lucent Technol, Bell Labs, Murray Hill, NJ 07974 USA

[2] European Synchrotron Radiat Facil, F-38043 Grenoble, France

[3] Natl Res Council Canada, Steacie Inst Mol Sci, Ottawa, ON K1A 0R6, Canada

来源：

PHYSICAL REVIEW LETTERS | 1999年 / 82卷 / 03期

关键词：

D O I：

10.1103/PhysRevLett.82.600

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Periodic intensity variations in the measured Comptori profile anisotropies of ordinary ice Ih correspond to distances of 1.72 and 2.85 Angstrom, which are close to the hydrogen bond length and the nearest-neighbor O-O distance, respectively. We interpret this result as direct evidence for the substantial covalent nature of the hydrogen bond. Very good quantitative agreement between the data and a fully quantum mechanical bonding model for ice Ih and the disagreement with a purely electrostatic (classical) bonding model support this interpretation and demonstrate how exquisitely sensitive Compton scattering is to the phase of the electronic wave function. [S0031-9007(98)08227-1].

引用

页码：600 / 603

页数：4

共 16 条

[1]

[Anonymous], CHEM COMPTON SCATTER

[2] A theory of water and ionic solution, with particular reference to hydrogen and hydroxyl ions [J].