Report

Gas-Phase Infrared Spectrum of the Protonated Water Dimer

See allHide authors and affiliations

Science  28 Feb 2003:
Vol. 299, Issue 5611, pp. 1375-1377
DOI: 10.1126/science.1081634

You are currently viewing the abstract.

View Full Text

Log in to view the full text

Log in through your institution

Log in through your institution

Abstract

The protonated water dimer is a prototypical system for the study of proton transfer in aqueous solution. We report infrared photodissociation spectra of cooled H+(H2O)2 [and D+(D2O2] ions, measured between 620 and 1900 wave numbers (cm−1). The experiment directly probes the shared proton region of the potential energy surface and reveals three strong bands below 1600 cm−1 and one at 1740 cm−1 (for H5O2 +). From a comparison to multidimensional quantum calculations, the three lower energy bands were assigned to stretching and bending fundamentals involving the O⋯H+⋯O moiety, and the highest energy band was assigned to a terminal water bend. These results highlight the importance of intermode coupling in shared proton systems.

  • * To whom correspondence should be addressed. E-mail: asmis{at}physik.fu-berlin.de (K.R.A.); dan{at}radon.cchem.berkeley.edu(D.M.N.)

View Full Text