کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1251378 | 970905 | 2007 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Insertion of O-H Bond of Rh(II)-methylene Carbene into Alcohols: A Stepwise Mechanism More Plausible than a Concerted Mechanism
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی (عمومی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The mechanisms of insertion of O-H bond of Rh(II)-methylene carbene into methanol and ethanol were studied by using B3LYP functional both in gas phase and in CH2Cl2. The formation of free alcoholic oxonium ylides is found to be impossible. Alcoholic oxonium ylide are formed as the intermediates before both the stepwise and the concerted transition states of insertion of O-H bond of Rh(II)-methylene carbene into methanol and ethanol. With regard to the mechanisms of insertion of O-H of Rh(II)-methylene carbene into alcohols, analysis of the energy barriers of the two mechanisms indicate that the stepwise mechanism is more plausible than the concerted mechanism.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Research in Chinese Universities - Volume 23, Issue 2, March 2007, Pages 221-225
Journal: Chemical Research in Chinese Universities - Volume 23, Issue 2, March 2007, Pages 221-225
نویسندگان
Zhen-feng LIU, Yong WANG, Xian-fang YUE, Ke-li HAN,