From DSMITH@uoft02.utoledo.edu  Tue Nov 20 10:53:17 1992
Date: 20 Nov 1992 14:53:17 -0400 (EDT)
From: "DR. DOUGLAS A. SMITH, UNIVERSITY OF TOLEDO" <DSMITH@uoft02.utoledo.edu>
Subject: Re: quoting the list
To: sauer@organik.uni-erlangen.de
Message-Id: <01GRDMSNWPGI001ANG@UOFT02.UTOLEDO.EDU>


I just submitted and had accepted a paper to the Journal of Organic Chemistry
on our work involving aromatic nitrenium ions (it is scheduled to appear
in issue #1, 1992).  If you recall, I posted some questions to the net
about Jahn-Teller distortion because we were seeing something we thought
was JT distortion in our triplet state systems.  The ensuing discussion
led to our redefining the problem as one of Hartree-Fock doublet instability,
and doing appropriate calculations to try to eliminate this problem.

In the paper, we referenced the net in a footnote as follows:

"For a general discussion of this instability problem, see:  Chambaud, G.;
Levy, B.; Millic, P. Theor. Chim. Acta 1978, 48, 103.  We thank the many
readers of the OSC Chemistry mail exploder for their input and suggestions
relating to this problem."

BTW, the complete set of mail on this topic is archived at ftp.utoledo.edu
in the [.chemistry] directory, and is available via anonymous ftp.

Doug Smith
Assistant Professor of Chemistry
The University of Toledo
Toledo, OH  43606-3390

voice    419-537-2116
fax      419-537-4033
email    dsmith@uoft02.utoledo.edu