کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5419156 1506971 2007 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Coaxial alkaline-earth dimetal units sandwiched between hydrosilver compounds: A DFT Study
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Coaxial alkaline-earth dimetal units sandwiched between hydrosilver compounds: A DFT Study
چکیده انگلیسی
Density functional theory methods have been utilized to investigate the novel dicationic hydrosilver sandwich compounds, [(AgnHn)M2]2+ (n = 4, 5; M = Be, Mg, and Ca). The two alkaline-earth metal atoms were found to form a single bond. The NBO analyses show that with the increase of ionic potential of the alkaline-earth metal, the positive charge diffuses more and more weakly. The hydrosilver rings do not change much except for a little departure of the hydrogen atoms. This series of dicationic complexes may be stabilized with the aid of strong electron acceptor and form one dimensional nanostructures.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 808, Issues 1–3, 30 April 2007, Pages 163-166
نویسندگان
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