کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5418030 1506972 2007 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
G2, G3, and complete basis set calculations of the thermodynamic properties of two isomers of diazadiboretidine, cyclo-B2N2H4
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
G2, G3, and complete basis set calculations of the thermodynamic properties of two isomers of diazadiboretidine, cyclo-B2N2H4
چکیده انگلیسی
Following a recent study of boron-containing compounds for use as fuels, we follow up here with calculations of the thermodynamic properties of mixed boron-nitrogen compounds; specifically, two isomers of diazadiboretidine, cyclo-B2N2H4. The 1,2-isomer has similar atoms adjacent in the ring, while the 1,3-isomer alternates boron and nitrogen atoms in the ring. Our results indicate that the combustion energies are about 31-38 kJ/g, making these compounds better than many small ringed compounds but still less than methane on a per-gram basis.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 807, Issues 1–3, 1 April 2007, Pages 67-72
نویسندگان
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