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 MP2/6-311++G(2d,2p) level of theory support the alternative structure of the hydrated complex proposed by this study.
Gomes
Jewel A G
JA
Gill Chair of Chemistry and Chemical Engineering, Lamar University, P.O. Box 10022, Beaumont TX 77710, USA. gomesja@hal.lamar.edu
Gossage
John L
JL
Balu
Harimadhav
H
Kesmez
Mehmet
M
Bowen
Ferrel
F
Lumpkin
Richard S
RS
Cocke
David L
DL
D001272:Atmosphere / Q000737:chemistry*; D008956:Models, Chemical; D010100:Oxygen / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D014867:Water / Q000737:chemistry*
D014867:Water; D010100:Oxygen