The influence of water molecule coordination to a metal ion on water hydrogen bonds

Phys Chem Chem Phys. 2012 Aug 21;14(31):10896-8. doi: 10.1039/c2cp41125c. Epub 2012 Jul 6.

Abstract

The geometry of hydrogen bonds in the crystal structures from the Cambridge Structural Database and calculated data show that water coordination to a metal ion has a remarkable influence on hydrogen bonds. The calculated energies of hydrogen bonds of coordinated water are much stronger, even if the aqua complex is neutral.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Databases, Factual
  • Hydrogen Bonding
  • Ions / chemistry
  • Metals / chemistry*
  • Models, Molecular
  • Water / chemistry*

Substances

  • Ions
  • Metals
  • Water