Substituent effects in the iron 2p and carbon 1s ...

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Title Substituent effects in the iron 2p and carbon 1s edge near-edge x-ray absorption fine structure spectroscopy of metal arene complexes and polymers.
Author(s) E. Otero, P. Shipman, A. Abd-El-Aziz, S. Urquhart
Journal Section Title: Organometallic and Organometalloidal Compounds, Organometallics
Date 2009
Volume 28
Issue 7
Start page 2160
End page 2172
Abstract The authors have examd. the electronic structure of iron arene monomers and polymers by near-edge x-ray absorption fine structure spectroscopy. Electron-donating or -withdrawing substituents have a measurable effect on some features in the NEXAFS spectra of these species. However, more significant changes are obsd. that arise from strong π*-conjugation between the arene ligand (benzene or cyclopentadienyl) and substituents bonded to this ligand. Spectral features obsd. in the Fe 2p and C 1s NEXAFS spectra were assigned with the aid of EHMO and DFT calcns. [on SciFinder(R)]
DOI 10.1021/om800769t
ISSN 0276-7333

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