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- Title
Mechanistic Insight into the Nickel-Catalyzed.
- Authors
Liu, Liu; Zhang, Shuangyan; Chen, Hu; Lv, Ye; Zhu, Jun; Zhao, Yufen
- Abstract
Spectator or actor? Density functional theory calculations were performed to examine the role of the base in the nickel ‐ catalyzed cross ‐ coupling of aryl phosphates with arylboronic acids. Potassium phosphate was found to not act as a spectator base but was involved in the transmetalation step, as shown by a lower barrier than that of a base ‐ free process, owing to the activation of the carbonboron bond by the base. Further experimental observations support the theoretical findings.
- Subjects
NICKEL catalysts; SUZUKI reaction; ARYL phosphates; PHENYL compounds; DENSITY functional theory; OXIDATIVE coupling
- Publication
Chemistry - An Asian Journal, 2013, Vol 8, Issue 11, p2592
- ISSN
1861-4728
- Publication type
Article
- DOI
10.1002/asia.201300688