Al-Amiery, A.; Obayes, H.R.; Ali, M.S.; Alwan, G.H. Thermodynamic and Theoretical Studies of the Imide Derivatives. Preprints2016, 2016050002. https://doi.org/10.20944/preprints201605.0002.v1
APA Style
Al-Amiery, A., Obayes, H.R., Ali, M.S., & Alwan, G.H. (2016). Thermodynamic and Theoretical Studies of the Imide Derivatives. Preprints. https://doi.org/10.20944/preprints201605.0002.v1
Chicago/Turabian Style
Al-Amiery, A., Mohammed S. Ali and Ghadah H. Alwan. 2016 "Thermodynamic and Theoretical Studies of the Imide Derivatives" Preprints. https://doi.org/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, Thermodynamics
Copyright:
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