کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5395233 1505659 2011 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Are extended structures based on C52- building block viable?
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Are extended structures based on C52- building block viable?
چکیده انگلیسی
Molecules containing Planar Tetracoordinate Carbon (PTC) are of great interest. C52- seems to be the simplest species which include a PTC. In this regard, Hoffmann, Vela and coworkers (P.D. Pancharatna, M.A. Mendez-Rojas, G. Merino, A. Vella, R. Hoffmann, J. Am. Chem. Soc. 126 (2004) 15309) have suggested PTC chains and lattices of simple C52- unit in which metal ions are employed to compensate the negative charge. In this account, structures of dimers and trimers beside tetramers containing earth alkali metals have been investigated to check whether they can be employed for this goal. Upon the obtained results one may conclude that thermodynamic instability of these species is a stumbling block.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 966, Issues 1–3, June 2011, Pages 91-96
نویسندگان
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