Theoretical study on thermochemical parameters of chlorinated isomers of acetophenone

Ala'a H. Al-Muhtaseb, Mohammednoor Altarawneh*

*المؤلف المقابل لهذا العمل

نتاج البحث: المساهمة في مجلةمراجعة النظراء

8 اقتباسات (Scopus)

ملخص

Thermochemical parameters, in terms of Δf298(g), Δf298(g) and Δf298(aq) are reported herein for the complete series of chlorinated acetophenone isomers. Satisfactory agreement is obtained between the calculated and the experimental values of Δf298(g) for mono and di-chlorinated isomers. The solvation energies are found to be nearly independent on the degree of chlorination. The solvation of acetophenone and its chlorinated derivatives are found to be mostly endoergic. Enthalpic penalties associated with the steric repulsions between ortho chlorinate atoms with the carbonyl group are estimated.

اللغة الأصليةEnglish
الصفحات (من إلى)38-43
عدد الصفحات6
دوريةComputational and Theoretical Chemistry
مستوى الصوت966
رقم الإصدار1-3
المعرِّفات الرقمية للأشياء
حالة النشرPublished - يونيو 2011
منشور خارجيًانعم

ASJC Scopus subject areas

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  • ???subjectarea.asjc.3100.3104???
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