Compton scattering evidence for covalency of the hydrogen bond in ice

Periodic intensity variations in the measured Compton profile anisotropies of ordinary ice I h correspond to distances of 1.8 and 3.0 Å, 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 covalent natur...

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Bibliographic Details
Published in:The Journal of physics and chemistry of solids 2000-03, Vol.61 (3), p.403-406
Main Authors: Isaacs, E.D., Shukla, A., Platzman, P.M., Hamann, D.R., Barbiellini, B., Tulk, C.A.
Format: Article
Language:English
Subjects:
Compton scattering
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Summary:Periodic intensity variations in the measured Compton profile anisotropies of ordinary ice I h correspond to distances of 1.8 and 3.0 Å, 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 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 disagreement with a purely electrostatic (classical) bonding model support this interpretation and demonstrates how exquisitely sensitive Compton scattering is to the phase of the electronic wavefunction.
ISSN:0022-3697
1879-2553
DOI:10.1016/S0022-3697(99)00325-X