Corpus ID: 118475804

Hydrogen bond relaxation dynamics and the associated vibronic and volumetric anomalies of H2O upon frozen

@inproceedings{Zhang2011HydrogenBR,
  title={Hydrogen bond relaxation dynamics and the associated vibronic and volumetric anomalies of H2O upon frozen},
  author={Xi Zhang and Xiaojian Fu and Yu Wen and Jer‐Lai Kuo and Zexiang Shen and Ji Zhou and Chang Q Sun},
  year={2011}
}
A combination of the extended Ice Rule of Pauling, Raman spectroscopy, and molecular dynamics calculations has enabled us to clarify the bonding origin of the anomalous volume expansion, Raman phonon relaxation, and the stiffness and fragility of H2O upon frozen. We found that the initially shorter-and-stronger intramolecular "H+/p-O2-" bond follows the regular rule of cooling-contraction while the initially longer-and-weaker intermolecular "O2- : H+/p" nonbond turns to be even longer yet… Expand