A MECHANISTIC STUDY ON THE REACTIONS OF VINYL CARBENE WITH HYDROGEN, CARBON MONOXIDE AND CARBON DIOXIDE: SHED LIGHT ON FURTHER MANIPULATIONS
Density Functional calculations (DFT) have been used to explore the potential energy profiles of H2, CO, and CO2 activation reactions by vinyl carbene structure 1. The reactions of vinyl carbene 1 with CO2 was proposed to yield a variety of possible products (3−5) depending on its selectivity. The D...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Anadolu University
2017-04-01
|
| Series: | Anadolu University Journal of Science and Technology: B Theoretical Sciences |
| Subjects: | |
| Online Access: | http://dergipark.gov.tr/aubtdb/issue/27532/287468?publisher=anadolu |