Phys. Rev. Lett. 82, 600 - 603 (1999)

Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement

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E. D. Isaacs1, A. Shukla2, P. M. Platzman1, D. R. Hamann1, B. Barbiellini1, and C. A. Tulk3
1Bell Laboratories, Lucent Technologies, Murray Hill, New Jersey 07974
2European Synchrotron Radiation Facility, BP220 Grenoble, France
3National Research Council of Canada, Steacie Institute for Molecular Sciences, Ottawa, Canada K1A 0R6

 See Also: Erratum

Featured in Physics News Update Received 21 September 1998

Periodic intensity variations in the measured Compton profile anisotropies of ordinary ice Ih correspond to distances of 1.72 and 2.85 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 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.


©1999 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevLett.82.600
DOI: 10.1103/PhysRevLett.82.600
PACS: 71.15.Cr, 32.80.Cy, 61.10.Eq

See Also

Erratum: E. D. Isaacs, A. Shukla, P. M. Platzman, D. R. Hamann, B. Barbiellini, and C. A. Tulk, Erratum: Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement [Phys. Rev. Lett. 82, 600 (1999)], Phys. Rev. Lett. 83, 4445 (1999)

Physics News Update: Physics News Update, Number 410, Story #2 (1999).

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