کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5418828 | 1506974 | 2007 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Calculation of the relative stability of molecular alumoxanes
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Calculation of the relative stability of molecular alumoxanes Calculation of the relative stability of molecular alumoxanes](/preview/png/5418828.png)
چکیده انگلیسی
Calculations have been performed on a series of alumoxane rings and cages having the formula [HAlO]n (n = 2-10). Results from these calculations are in excellent agreement with previous calculations on methyl alumoxane rings and cages and experimental structures of organic alumoxane rings and cages. Optimized aluminum-oxygen bond lengths of both rings and cages were found to increase with decreasing stability of these compounds. Comparison of the calculated IR spectra for all of these cages with the experimental spectra of methyl alumoxane (MAO) catalyst suggests that the structure of MAO is composed of large cages containing both four- and six-membered rings.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 805, Issues 1â3, 28 March 2007, Pages 101-109
Journal: Journal of Molecular Structure: THEOCHEM - Volume 805, Issues 1â3, 28 March 2007, Pages 101-109
نویسندگان
Clarke W. Earley,