CCL: Binding Enthalpy in vacuum and solvent
- From: "Comp Chem Group "
<compchemgroup1\a/gmail.com>
- Subject: CCL: Binding Enthalpy in vacuum and solvent
- 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