CCL: Computing AsMe3

From: "osama T Akoubeh" <dolkeen---hotmail.com>
Subject: CCL: Computing AsMe3
Date: Mon, 4 Oct 2010 05:51:17 -0400

 Sent to CCL by: "osama T Akoubeh" [dolkeen-#-hotmail.com]
 I computed the compound AsMe3 " As(CH3)3 " using PM5 and many
 functional methods to get the enthalpy of formation , entropy at various
 temperature to study its behavior reaction
 The literature values  2.8kcal/mol from CRC handbook which refers to "J. O.
 Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic
 Compounds,"
 The value from Chemkin data base is 2,9kcal/mol , the difference between both
 will make the reaction Gibbs favorable at 2.8 and not at 2.9 kcal/mol
 I computed the compound using PM5 methaod anf got 3.2118 kcal/mol what
 functional method you suggest to get 2.8 even I tested B88-PW91 with no good
 results
 Appreciating kind assistance