کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5418852 1506975 2007 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Structural and vibrational frequencies determination of the molecule C18H12O12 with double cages sharing the same hexagon of carbon atoms
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Structural and vibrational frequencies determination of the molecule C18H12O12 with double cages sharing the same hexagon of carbon atoms
چکیده انگلیسی
B3LYP/6-31G∗∗ structure, energy, and vibrational frequencies have been calculated for the molecule C18H12O12. The molecule has two cages and D6h symmetry. Two cages containing oxygen atoms and sharing the same pentagon of carbon atoms fuse the molecule. Heat of formation of the molecule has been estimated here. Vibrational analysis as well as heat of formation indicates that the molecule enjoys sufficient stability to allow for its experimental preparation. Synthetic route of the molecule has been proposed in current work.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 804, Issues 1–3, 16 March 2007, Pages 77-80
نویسندگان
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