The six-vertex lattice model is augmented with ionic vertices and bonding effects. These represent sources and sinks for hydrogen atoms, and the extra vertices account for the pH of water. This 14-vertex lattice model with Bjerrum bond defects represents a not unrealistic model of ice, and ...
It is found that the hydrogen bonding persists at supercritical temperatures and that the average number of hydrogen bonds is more than one for a water ... N Matubayasi,C Wakai,M Nakahara - 《Journal of Chemical Physics》 被引量: 302发表: 1997年 Pressure dependence of NMR proton spin–lat...
Since Prof. Born makes no use of the available infra-red measurements on iceor of some earlier work on certain aspects of hydrogen bonding in ice, it seems worth while to recall some relevant datadoi:10.1038/10.1038/159403b0Martin, A. E...
ice is less dense than water and floats on it. Because of hydrogen bonding between water molecules, thelatent heatsof fusion and of evaporation and theheat capacityof water are all unusually high. For these reasons, water serves both as a heat-transfer medium (e.g., ice for cooling and ...
Repulsive force between the O-H bonding electrons and the O:H nonbonding pair within hydrogen bond (O-H:O) is an often overlooked interaction which dictates the extraordinary recoverability and sensitivity of water and ice. Here, we present a potential model for this hidden force opposing ice ...
Water and the bad smelling molecule hydrogen sulphide do not seem to have a lot in common at first sight. However, when investing a little energy, some differences disappear. At first glance, the ...
Reproduction of the Tm(P) profile clarifies that the H-O bond energy EH determines the Tm with derivative of EH = 3.97 eV for bulk water and ice. Oxygen atom always finds bonding partners to retain its sp3-orbital hybridization once the O:H breaks, which ensures O:H-O bond ...
The increased average coordination of the H and O atoms creates an imbalance in the stoichiometry of hydrogen bonding. As a result, a few percent of the water molecules are left with one ''free,'' i.e., nonhydrogen‐bonded OH group (NHB). The energy of the BHB is estimated at 2.5 ...
In stark contrast to common ice, Ih, water ice at planetary interior conditions has been predicted to become superionic with fast-diffusing (that is, liquid-like) hydrogen ions moving within a solid lattice of oxygen. Likely to constitute a large fraction of icy giant planets, this extraordinary...
Kollman and Allen (16) on the other hand, using what are described as essentially Hartree-Fock-quality atomic orbitals as a basis, conclude that the enhancement of the 0-H stretching intensity of water on hydrogen bonding is due more to charge redistribution within a molecule than to charge ...