Preprint Article Version 1 NOT YET PEER-REVIEWED

Thermodynamic and Theoretical Studies of the Imide Derivatives

  1. University of Technology, Baghdad, Iraq
  2. Ministry of Sciences and Technology, Industrial Research & Development Directorate, Industrial Applications Center, Baghdad, Iraq
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.; Ali, M.; Alwan, G. Thermodynamic and Theoretical Studies of the Imide Derivatives. Preprints 2016, 2016050002 (doi: 10.20944/preprints201605.0002.v1). Al-Amiery, A.; Obayes, H.; Ali, M.; Alwan, G. 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.

Subject Areas

imide, DFT, HOMO, spontaneous, endothermic

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