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Hydrogen Bonding Catalysis Operates by Charge Stabilization in Highly Polar DielsāAlder Reactions
- Source :
- Organic Letters. 9:501-503
- Publication Year :
- 2007
- Publisher :
- American Chemical Society (ACS), 2007.
-
Abstract
- [reaction: see text] The alcohol-catalyzed Diels-Alder reactions of acrolein and benzaldehyde with Rawal's diene were evaluated with density functional theory (B3LYP/6-31G(d)). Several potential modes of catalysis with two methanol molecules were used to model catalysis by TADDOLs. In agreement with crystallographic data, cooperative catalysis with TADDOLs is predicted to be favorable.
- Subjects :
- Hydrogen bond catalysis
Diene
Hydrogen bond
Methanol
Organic Chemistry
Molecular Conformation
Hydrogen Bonding
Stereoisomerism
Homogeneous catalysis
Crystallography, X-Ray
Photochemistry
Biochemistry
Catalysis
Article
Benzaldehyde
chemistry.chemical_compound
Models, Chemical
chemistry
Alcohols
Benzaldehydes
Molecule
Density functional theory
Acrolein
Physical and Theoretical Chemistry
Subjects
Details
- ISSN :
- 15237052 and 15237060
- Volume :
- 9
- Database :
- OpenAIRE
- Journal :
- Organic Letters
- Accession number :
- edsair.doi.dedup.....71553070f14f71b3dd22ce1ab7416ac5