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Thermodynamic and Theoretical Studies of the Imide Derivatives
Version 1
: Received: 10 May 2016 / Approved: 11 May 2016 / Online: 11 May 2016 (07:42:45 CEST)
How to cite: Al-Amiery, A.; Obayes, H.R.; Ali, M.S.; Alwan, G.H. Thermodynamic and Theoretical Studies of the Imide Derivatives. Preprints 2016, 2016050002 (doi: 10.20944/preprints201605.0002.v1). Al-Amiery, A.; Obayes, H.R.; Ali, M.S.; Alwan, G.H. Thermodynamic and Theoretical Studies of the Imide Derivatives. Preprints 2016, 2016050002 (doi: 10.20944/preprints201605.0002.v1).
Abstract
Based on DFT (density functional theory) using B3LYP/6-31G method, theoretical investigations applied to demonstrate the structural, electronic properties and stability of (N,Nˊ-(1,4-phenylene)bis(1,8-naphthalimide)) is more stable than the compound (N-(4-amino phenyl)1,8-naphthalimide) by (-1.2762 eV or -29.4299 Kcal.mol-1) depending on the values of HOMO, synthesis reaction of imide is spontaneous and endothermic at temperature 275˚C according to the values of ∆rS, ∆rG and ∆rH.
Keywords
imide, DFT, HOMO, spontaneous, endothermic
Subject
PHYSICAL SCIENCES, Other
Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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