Collect. Czech. Chem. Commun. 1990, 55, 890-895

Can fluorosyl hydride be formed or even prepared?

Rudolf Zahradníka and B. Andes Hess, Jr.b

a The J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Czechoslovak Academy of Sciences, 182 23 Prague 8, Czechoslovakia
b Department of Chemistry, Vanderbilt University, Nashville, TN 37235, U.S.A.


HFO and HClO (fluorosyl and chlorosyl hydrides) and isomeric molecules HOF and HOCl (hypofluorous and hypochlorous acids) have been studied theoretically. On the basis of nonempiracal quantum chemical calculations (MP2, MP4 and CCD/6-311G**) geometry, energy and vibrational characteristics are analyzed and it is concluded that there is a poor chance to observe formation of HFO. Possibly, bombardment of HF in a solid matrix by 16O could lead at very low temperature to HFO.