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The infrared dynamics of iron diene complexes

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James Turner, Michael Buehl

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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.
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Original languageEnglish
Pages (from-to)3497-3505
Number of pages9
JournalJournal of Physical Chemistry A
Volume122
Issue number14
Early online date2 Feb 2018
DOIs
Publication statusPublished - 12 Apr 2018

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