Can ortho–para transitions for water be observed?

Andrea Miani, Jonathan Tennyson
2004 Journal of Chemical Physics  
The spectrum of water can be considered as the juxtaposition of the spectra of two molecules, with different total nuclear spin: ortho-H 2 O, and para-H 2 O. No transitions have ever been observed between the two different nuclear-spin isotopomers. The interconversion time is unknown and it is widely assumed that interconversion is forbidden without some other intervention. However, weak nuclear spin-rotation interaction occurs and can drive ortho to para transitions. Ab initio calculations
more » ... that the hyperfine nuclear spin-rotational coupling constants are about 30 kHz. These constants are used to explore the whole vibration-rotation spectrum with special emphasis on the coupling between nearby levels. Predictions are made for different spectral regions where the strongest transitions between ortho and para levels of water could be experimentally observed.
doi:10.1063/1.1633261 pmid:15268417 fatcat:7vfxbjt3hjbl3iiuxieyaitbyq