Structural Correlations in Liquid Water: A New Interpretation of IR Spectroscopy
- 20 September 2007
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 111 (40), 10119-10122
- https://doi.org/10.1021/jp074737n
Abstract
We present a new and alternative interpretation of the structure of the IR vibrational mode (ν(OH) band) of pure water. The re-interpretation is based on the influence of the cooperative hydrogen bonding arising from a network of hydrogen bonds in the liquid. The ν(OH) band has six components that are dominated by differences in their O−H bond lengths but deviate from thermodynamically average values due to interactions with the hydrogen bond network. The physical origin of the structure in the ν(OH) band is directly related to the O−H bond length, and variations in this bond length are caused by the influence of the surrounding hydrogen-bonded network of water molecules.Keywords
This publication has 48 references indexed in Scilit:
- Hydrogen bonding definitions and dynamics in liquid waterThe Journal of Chemical Physics, 2007
- A Hirshfeld partitioning of polarizabilities of water clustersThe Journal of Chemical Physics, 2006
- Observation of the First Hydration Layer of Isolated Cations and Anions through the FTIR-ATR Difference SpectraThe Journal of Physical Chemistry A, 2005
- Elucidating the role of many-body forces in liquid water. I. Simulations of water clusters on the VRT(ASP-W) potential surfacesThe Journal of Chemical Physics, 2004
- Infrared spectra of cesium chloride aqueous solutionsThe Journal of Chemical Physics, 2000
- Interpolation and Extrapolation of Infrared Spectra of Binary Ionic Aqueous SolutionsApplied Spectroscopy, 1999
- Structure and Spectra of Three-DimensionalClusters,Physical Review Letters, 1998
- Terahertz Laser Vibration−Rotation Tunneling Spectroscopy and Dipole Moment of a Cage Form of the Water HexamerThe Journal of Physical Chemistry A, 1997
- Infrared spectra of ice surfaces and assignment of surface-localized modes from simulated spectra of cubic iceThe Journal of Chemical Physics, 1995
- On the role of Fermi resonance in the spectrum of water in its condensed phasesThe Journal of Chemical Physics, 1979