کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5226238 | 1503213 | 2009 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical studies of azapentalenes. Part 4: Theoretical study of the properties of 3a,6a-diazapentalene
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
A theoretical study of the properties of the isolated 3a,6a-diazapentalene by means of DFT, B3LYP/6-311++G(d,p) and ab initio methods, MP2/6-311++G(d,p), has been carried out. In addition, the complexes formed with hydrogen bond donor, acceptors, cations, and anions have been studied and analyzed. Ring opening into 1,5-diazocine as well as basicity and acidity properties of 3a,6a-diazapentalene have been explored. Their ability to form HB complexes and the complexes formed with anions and cations have been studied.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Tetrahedron - Volume 65, Issues 29â30, 18 July 2009, Pages 5760-5766
Journal: Tetrahedron - Volume 65, Issues 29â30, 18 July 2009, Pages 5760-5766
نویسندگان
Ibon Alkorta, Fernando Blanco, José Elguero,