Journal
CHEMISTRY LETTERS
Volume 43, Issue 7, Pages 1140-1142Publisher
CHEMICAL SOC JAPAN
DOI: 10.1246/cl.140370
Keywords
-
Categories
Funding
- MEXT
- JSPS
- Grants-in-Aid for Scientific Research [26248031, 24550213] Funding Source: KAKEN
Ask authors/readers for more resources
Ab initio and DFT calculations predict that the reduction of the acetyl radical with borohydride proceeds via hydride attack to afford the ketyl radical; the energy bather for the hydride transfer was calculated to be 54.5 kJ mol(-1) at the CCSD(T)/aug-cc-pVDZ//BHandHLYP/aug-cc-pVDZ level of theory. The DFT calculations also indicated that the hydroxymethylation of iodocyclohexane with CO in the presence of borohydride would proceed smoothly.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available