Compton scattering evidence for covalency of the hydrogen bond in ice

Citation
Ed. Isaacs et al., Compton scattering evidence for covalency of the hydrogen bond in ice, J PHYS CH S, 61(3), 2000, pp. 403-406
Citations number
11
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
ISSN journal
00223697 → ACNP
Volume
61
Issue
3
Year of publication
2000
Pages
403 - 406
Database
ISI
SICI code
0022-3697(200003)61:3<403:CSEFCO>2.0.ZU;2-P
Abstract
Periodic intensity variations in the measured Compton profile anisotropies of ordinary ice Ih correspond to distances of 1.8 and 3.0 Angstrom, which a re close to the hydrogen bond length and the nearest-neighbor O-O distance, respectively. We interpret this result as direct evidence for the covalent nature of the hydrogen bond. Very good quantitative agreement between the data and a fully quantum mechanical bonding model for ice I-h, and the disa greement with a purely electrostatic (classical) bonding model support this interpretation and demonstrates how exquisitely sensitive Compton scatteri ng is to the phase of the electronic wavefunction. (C) 2000 Published by El sevier Science Ltd. Ail rights reserved.