The infrared dynamics of iron diene complexes

James Turner; Michael Buehl

doi:10.1021/acs.jpca.7b12309

The infrared dynamics of iron diene complexes

Research output: Contribution to journal › Review article › peer-review

Abstract

The temperature-dependence of the low frequency C-O bands in the IR spectrum of [(η⁴-norbornadiene)Fe(CO)₃], reminiscent of signal coalescence in dynamic NMR, was interpreted by Grevels (in 1987) as chemical exchange due to very fast rotation of the diene group. Since then there has been both support and objection to this interpretation. In this Review we discuss these various claims involving both one- and two-dimensional IR and, largely on the basis of new DFT calculations, furnish support for Grevels’s original interpretation.

Original language	English
Pages (from-to)	3497-3505
Number of pages	9
Journal	Journal of Physical Chemistry A
Volume	122
Issue number	14
Early online date	2 Feb 2018
DOIs	https://doi.org/10.1021/acs.jpca.7b12309
Publication status	Published - 12 Apr 2018

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© 2018 American Chemical Society. This work has been made available online in accordance with the publisher’s policies. This is the author created accepted version manuscript following peer review and as such may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1021/acs.jpca.7b12309
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Cite this

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The infrared dynamics of iron diene complexes

Abstract

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