Journal
CHEMICAL COMMUNICATIONS
Volume 53, Issue 83, Pages 11410-11413Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7cc06416k
Keywords
-
Categories
Funding
- 100-Talent Program'' of Chinese Academy of Sciences
- National Natural Science Foundation of China [21373228, 21673250]
Ask authors/readers for more resources
Inspired by the structures of the active site of lactate racemase and recent reported SCS nickel pincer complexes, we built a series of scorpion-like SCS nickel pincer complexes with an imidazole tail and computationally predicted their catalytic activities for the racemization of lactic acid. Density functional theory calculations reveal a proton coupled hydride transfer mechanism for the dehydrogenation of L-lactate and the formation of D-lactate with a free energy barrier as low as 25.9 kcal mol(-1).
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