Subject: 2nd Order JT References

From: [email-masked] (Thomas Slee)
Date: Wed, 23 Mar 1994 22:04:35 -0500

Dear CCL folks,

Looking through the recent discussion of the origin of the pseudo, or 
2nd order, Jahn Teller effect, I did not see any mention of what I 
understand to be the original derivation of this effect (though close in 
time to Dr. Hobey's reference, so maybe there is more than one "original"
reference, as not infrequently happens).

Richard Bader derived the 2nd order effect, and applied
it to the symmetries of equilibrium geometries as well as to 
dissociative pathways for unimolecular reactions, in two papers:

R. F. W. Bader, Mol. Phys., 1960, 3, 137
R. F. W. Bader, Can. J. Chem., 1962, 40, 1164.

This work is discussed along with others in a fairly chronologically
oriented account by R. G. Pearson in his book "Symmetry Rules for
Chemical Reactions", Wiley, 1976.

			Tom Slee