[no subject]



The problem is that in the gas phase, HF will dissociate to H + F.
 Dissociation into H+ + F- costs E(IP of H) - E(EA) and amounts to
 several eV or more for most diatomics (IP=ionization potential; EA=
 electron affinity).  The ions are only more stable relative to the the
 atoms in solution.  You could try doing the dissociation with a solva-
 tion reaction field turned on (Gaussian lets you do this, for example),
 but I couldn't predict how reasonable this with be.  I suspect getting
 the right charges will require explicit quantum mechanical treatment
 of the first solvation shell.
 You may find our recent work on the dissociation of alkali halides to
 be of interest [DE Woon & TH Dunning, Jr., JACS 117, 1090 (1995)].
 David E. Woon                    |     woon ( ( at ) ) hecla.molres.org
 Molecular Research Institute     |  or woon ( ( at ) ) purisima.molres.org
 845 Page Mill Road               |     (415)424-9924 (voice)
 Palo Alto, CA 94304              |     (415)424-9501 (fax)
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