Mechanistic Investigation on Hydrocyanation of Butadiene: A DFT Study
The nickel-catalyzed addition of Hydrocyanic acid (HCN) to butadiene usually leads to a mixture of the branched 2-methyl-3-butenenitrile (2M3BN) and the linear 3-pentenenitrile (3PN) with a 30:70 ratio by employing mono-dentate phosphites, while a 97% selectivity to 3PN is obtained using a 1,4-bis(d...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-07-01
|
| Series: | Catalysts |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4344/10/8/818 |