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A DFT stu dy on the fluorinated derivat ives of bo ron, alum inium, an d nitrogen substituted cyclic carbenes

عنوان مقاله: A DFT stu dy on the fluorinated derivat ives of bo ron, alum inium, an d nitrogen substituted cyclic carbenes
شناسه ملی مقاله: ISPTC15_0405
منتشر شده در پانزدهمین سمینار شیمی فیزیک ایران در سال 1391
مشخصات نویسندگان مقاله:

J. AMANI - Departm ent of chemis try, Shahr-e-Qods Branch, Islamic Azad U niversity, Tehran, Iran
S.M Musavi - Departm ent of chemis try, Shahr-e-Qods Branch, Islamic Azad U niversity, Tehran, Iran
F Gharehhasan loo, - Departm ent of chemis try, Shahr-e-Qods Branch, Islamic Azad U niversity, Tehran, Iran

خلاصه مقاله:
Cyclic carbenes have been stimulated many chemists, in the recent years, both experimentally and computationa lly. The effects of introduction o f heteroatoms into the cyclic carbenes backbone and the ı-donor and ʌ-acceptor abilities of different s ubstituents h ave been studied on the cyclic carbenes to improve the ligand properties of these sy stems [۱, ۲] .

کلمات کلیدی:
Cycli c carbene, Heat of hydrogenation, ¨ EHOMO-LUM O, Aromaticity, DFT

صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/1363720/