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Quantum Differences between Heavy and Light Water
Abstract
The structures of heavy and light water at ambient conditions are investigated with the combined techniques of x-ray diffraction, neutron diffraction, and computer simulation. It is found that heavy water is a more structured liquid than light water. We find the OH bond length in H2O is approximately 3% longer than the OD bond length in D2O. This is a much larger change than current predictions. Corresponding to this, the hydrogen bond in light water is approximately 4% shorter than in heavy water, while the intermolecular HH distance is approximately 2% longer.
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Citations
Cited by
Medders, G. R., Babin, V., & Paesani, F. (2014) · Journal of Chemical Theory and Computation · doi:10.1021/ct5004115 · Cited by 435
DiStasio, R. A., Santra, B., Li, Z., Wu, X., & Car, R. (2014) · The Journal of Chemical Physics · doi:10.1063/1.4893377 · Cited by 329
The Properties of Water: Insights from Quantum Simulations
Paesani, F., & Voth, G. A. (2009) · The Journal of Physical Chemistry B · doi:10.1021/jp810590c · Cited by 256
White, C. E., Henson, N. J., Daemen, L. L., Hartl, M., & Page, K. (2014) · Chemistry of Materials · doi:10.1021/cm500470g · Cited by 33
Heuristic approach to take up the challenge of terahertz time-domain spectroscopy for biology
Lavancier, M. (2026) · doi:10.70675/ae6227b6zb5e7z43aczb2dcza96e56b2799e · Cited by 3
Metadata
- Authors
- Soper, A. K., & Benmore, C. J.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2008-08-06
- Volume
- 101
- Issue
- 6
- Pages
- 065502-065502
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2067910314
- Cited by
- 470
- References
- 0
- FWCI
- 9.47
- Type
- journal article
- Language
- en
- Open access
- closed
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