From owner-chemistry #at# ccl.net Wed May 12 11:01:00 2010
From: "Comp Chem Group compchemgroup1^gmail.com" <owner-chemistry!=!server.ccl.net>
To: CCL
Subject: CCL: Binding Enthalpy in vacuum and solvent
Message-Id: <-41846-100512092917-32689-kUVK9JsSt7gUrbvj1Qs8pg!=!server.ccl.net>
X-Original-From: "Comp Chem Group " <compchemgroup1\a/gmail.com>
Date: Wed, 12 May 2010 09:29:15 -0400


Sent to CCL by: "Comp Chem Group " [compchemgroup1 a gmail.com]
Dear All,
By surveying on "Interaction Enthalpy" of transition metal complex in vacuum and solvent (PCM or other model), I found in all cases that the enthalpy change in vacuum is larger than that solvent. For example, if delta H in vacuum= -1000 kcal/mol, in solvent= -200 kcal/mol. Could anyone explain why? 
Regards,
CCG1