کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1338240 | 979661 | 2012 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A possibility of functionalizing the dinitrogen in a Chatt complex by H2: Density functional studies
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی معدنی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
DFT calculations have been performed to explore the possibility of functionalizing the coordinated N2 in a Chatt type complex by H2, using some suitable organic co-catalysts in a homogeneous fashion. The calculated thermodynamic barriers further revealed that there is the possibility to produce ammonia by the reaction of a Chatt type complex with H2 in different organic solvents. The electronic features of the various intermediates have also been analyzed.
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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Polyhedron - Volume 31, Issue 1, 4 January 2012, Pages 676–681
Journal: Polyhedron - Volume 31, Issue 1, 4 January 2012, Pages 676–681
نویسندگان
Perumal Balu, Sambath Baskaran, Venu Kannappan, Chinnappan Sivasankar,