## Abstract Density functional theory calculations are presented on the oxygen atom transfer reaction between two nonโheme iron centres: One contains Bnโtpen [__N__โbenzylโ__N__,__Nโฒ__,__Nโฒ__โtris(2โpyridylmethyl)ethaneโ1,2โdiamine], whereas the other contains N4Py [__N__,__N__โbis(2โpyridylmethyl)
Theoretical investigation of the mechanism for Xe transfer in the atomic switch
โ Scribed by Shiwu Gao; M. Persson; B.I. Lundqvist
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 497 KB
- Volume
- 64-65
- Category
- Article
- ISSN
- 0368-2048
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The reaction of hexakis(di-and 1 6 % yields, respectively. 'H and 13C the symmetric unti-all-trans isomer 3b is broniomethy1)benzene with [(Bu,P),-N M R spectroscopy suggest that 3 is obnot obtained at all. The X-ray structures Ni(COD)] (COD = 1,5-cyclooctadiene) tained as the .sjwall-rrun,s isomer
## Abstract A new theoretical consideration of chain transfer to monomer in the anionic polymerization of hydrocarbon monomers is presented. It is shown that the kinetic scheme used in theoretical studies reported previously contradicts the widespread views on the chemical mechanism of carbanionic