RE: CCL:spin-orbit coupling

From: "Shobe, Dave" <dshobe "at@at" sud-chemieinc.com>
Subject: RE: CCL:spin-orbit coupling
Date: Tue, 27 Mar 2001 11:40:57 -0500

Related question: how does spin-orbit coupling work for nonlinear
 molecules?
 I don't think of them as having orbital angular momentum quantum numbers,
 but OTOH I have trouble believing that an energy split that occurs for a
 linear triatomic suddenly disappears when the molecule is bent to 179.9
 degrees.  (And does it matter if the bending is the result of vibrational
 motion as opposed to some external force breaking the symmetry?)
 > How do I calculate the splitting of the ground electronic state due to
 spin-orbit coupling?  > Does this have a noticeable effect on the heat
 capacity or entropy?
 --David Shobe
 Süd-Chemie Inc.
 phone (502) 634-7409
 fax     (502) 634-7724
 email  dshobe "at@at" sud-chemieinc.com