View : 17 Download: 0

Theoretical predictions of a highly reactive non-heme Fe(iv)O complex with a high-spin ground state

Title
Theoretical predictions of a highly reactive non-heme Fe(iv)O complex with a high-spin ground state
Authors
Cho K.-B.Shaik S.Nam W.
Ewha Authors
남원우
SCOPUS Author ID
남원우scopus
Issue Date
2010
Journal Title
Chemical Communications
ISSN
1359-7345JCR Link
Citation
vol. 46, no. 25, pp. 4511 - 4513
Indexed
SCI; SCIE; SCOPUS WOS scopus
Abstract
Computations show that a non-heme iron(iv)-oxo complex with a trigonal bipyramidal structure, [(Me6TREN)FeIVO]2+, has a quintet ground state and a low activation barrier for H-abstraction from cyclohexane, whereas its ruthenium analogue, [(Me6TREN)Ru IVO]2+, has a triplet ground state and a high H-abstraction barrier. © 2010 The Royal Society of Chemistry.
DOI
10.1039/c0cc00292e
Appears in Collections:
자연과학대학 > 화학·나노과학전공 > Journal papers
Files in This Item:
There are no files associated with this item.
Export
RIS (EndNote)
XLS (Excel)
XML


qrcode

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

BROWSE