کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5389792 | 1505140 | 2007 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Covalent character of three-center, two-electron systems -C2H3+ and C2H5+
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
MP2/6-311++G(3df,3pd) calculations were performed on C2H3+ and C2H5+ three-center, two electron (3c-2e) systems with T-shaped approach of proton to acetylene and ethylene, respectively. H+â¯Ï interactions possess the characteristics typical for covalent bonds. Two complexes: C2H5+â¯C2H2 and C2H3+â¯H2 were also considered where C2H5+ and C2H3+ act as proton donating systems while C2H2 and H2 as proton acceptors, respectively - these complexes possess the characteristics of H-bonded species.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 436, Issues 1â3, 27 February 2007, Pages 63-67
Journal: Chemical Physics Letters - Volume 436, Issues 1â3, 27 February 2007, Pages 63-67
نویسندگان
SÅawomir J. Grabowski,