Experimental and theoretical study of the atmospherically important O2H2O 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 MP2/6–311++G(2d,2p) level of theory support the alternative structure of the hydrated complex proposed by this study.