کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
66763 48449 2010 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Computational investigations of the stereoselectivities of proline-related catalysts for aldol reactions
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی کاتالیزور
پیش نمایش صفحه اول مقاله
Computational investigations of the stereoselectivities of proline-related catalysts for aldol reactions
چکیده انگلیسی

Computational investigation of the aldol reaction of benzaldehyde with acetone catalyzed by various proline derivatives and 2-azetidine carboxylic acid reveal the origins of stereoselectivities of these reactions. Structural differences between catalysts and transition states were analyzed with density functional theory geometries in order to establish the key factors that will help in the design of new catalysts.

The aldol reaction of benzaldehyde with acetone catalyzed by proline and proline-related catalysts was studied using density functional theory. Subtle differences in the structures and conformations of these catalysts influence reaction stereoselectivities.Figure optionsDownload high-quality image (78 K)Download as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Catalysis A: Chemical - Volume 324, Issues 1–2, 1 June 2010, Pages 31–38
نویسندگان
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