A new example of a quadruple bond from carbon - to Fe.
DOI: 10.14469/hpc/7537 Metadata
Created: 2020-11-08 09:18
Last modified: 2021-04-02 12:31
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
The NBO orbitals illustrating the quadruple bod
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/7535 | BCo(CO)3 Wiberg |
| 10.14469/hpc/7534 | OCr(CO)3 Wiberg |
| 10.14469/hpc/7533 | NMn(CO)3 C3v Wiberg |
| 10.14469/hpc/7532 | CFe(CO)3 C3v Wiberg |
| 10.14469/hpc/7541 | NFe(CO)3 (+) Wiberg |
| 10.14469/hpc/7539 | NFe(CO)3 (+) |
| 10.14469/hpc/7540 | NMn(CO)3 C3v Wiberg triplet E = -1545.57666884 |
| 10.14469/hpc/7538 | CFe(CO)3 C3v Wiberg triplet E = -1641.56561986 |
| 10.14469/hpc/7545 | CRu(CO)3 Wiberg |
| 10.14469/hpc/7548 | (CO)3FeCCFe(CO)3 dimer D3d G = -3283.214361 (-3,283.233872) +12.2 |
| 10.14469/hpc/7547 | PMn(CO)3 C3v Wiberg |
| 10.14469/hpc/7546 | SiFe(CO)3 Wiberg |
| 10.14469/hpc/7555 | CCoCp C5v G = -1614.104648 |
| 10.14469/hpc/7556 | NFeCp C5v |
| 10.14469/hpc/7575 | NNCFe(CO)3 C3v |