Experimental and theoretical study of the atmospherically important O2-H2O complex

The theoretically predicted water-oxygen van der Waals adduct has been experimentally confirmed by vibrational characterization using matrix isolation spectroscopic studies at 10 K. Vibrational bands for asymmetric and symmetric OH-stretching for this adduct have been found at 3728 cm(-1) and 3639 cm(-1), respectively. Theoretical calculations performed with Gaussian 98 software at the MP2/6-31 1++G(2d,2p) level of theory support the alternative structure of the hydrated complex proposed by this study. (c) 2004 Elsevier B.V All rights reserved.