| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 68493 | Journal of Molecular Catalysis A: Chemical | 2006 | 5 Pages |
Abstract
The decomposition of symmetric semiperacetals obtained from aldehydes and hydrogen peroxide leading to carboxylic acids and dihydrogen is reinvestigated by means of DFT calculations.
Graphical abstractDFT calculations provide strong evidence that the evolution of hydrogen from mixtures of aldehydes and hydrogen peroxide proceeds via a concerted mechanism. Figure optionsDownload full-size imageDownload as PowerPoint slide
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Catalysis
Authors
Werner R. Thiel,