From owner-chemistry@ccl.net Thu Mar 12 12:21:01 2009
From: "Richard Tia richtiagh*|*gmail.com" <owner-chemistry##server.ccl.net>
To: CCL
Subject: CCL: Pi complex vrs reactants
Message-Id: <-38823-090312121740-31513-oB4mxsLHohZUVKDDCjYRGw##server.ccl.net>
X-Original-From: "Richard  Tia" <richtiagh^gmail.com>
Date: Thu, 12 Mar 2009 12:17:36 -0400


Sent to CCL by: "Richard  Tia" [richtiagh(_)gmail.com]
Hi Everybody,

Is it reasonable for a pi-complex to be higher in energy than the reactants from which it is formed? What will be the likely reason for such an occurrence?
Or am  I doing something wrong in my calculations( DFT B3LYP/6-31G*)?
I'll be glad if someone can offer me some insight.

Thanks in advance for your help.
Best regards.

Richard Tia
Department of Chemistry
KNUST
Kumasi, GHANA