Nalaganje...
Direct estimate of the internal π-donation to the carbene centre within N-heterocyclic carbenes and related molecules
Fifteen cyclic and acylic carbenes have been calculated with density functional theory at the BP86/def2-TZVPP level. The strength of the internal X→p(π) π-donation of heteroatoms and carbon which are bonded to the C(II) atom is estimated with the help of NBO calculations and with an energy decomposi...
Shranjeno v:
| izdano v: | Beilstein J Org Chem |
|---|---|
| Main Authors: | , , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
Beilstein-Institut
2015
|
| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4734353/ https://ncbi.nlm.nih.gov/pubmed/26877795 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjoc.11.294 |
| Oznake: |
Označite
Brez oznak, prvi označite!
|