IR spectral assignments for the hydrated excess proton in liquid water

The local environmental sensitivity of infrared (IR) spectroscopy to a hydrogen-bonding structure makes it a powerful tool for investigating the structure and dynamics of excess protons in water. Although of significant interest, the line broadening that results from the ultrafast evolution of diffe...

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Veröffentlicht in:	The Journal of chemical physics 2017-04, Vol.146 (15), p.154507-154507
Hauptverfasser:	Biswas, Rajib, Carpenter, William, Fournier, Joseph A., Voth, Gregory A., Tokmakoff, Andrei
Format:	Artikel
Sprache:	eng
Schlagworte:	absorption spectra acids cluster analysis cluster spectra Configurations Coupled modes Decomposition Density functional theory Doppler effect Dynamic structural analysis electron densities of states Empirical analysis Hydrogen bonding infrared spectra Infrared spectroscopy INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Line broadening Liquid phases Molecular dynamics normal modes Protons Red shift Spectrum analysis vibration analysis Water
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