Detection of an unusual intermediate in the photolysis of an iron tricarbonyl complex

R. S. Anju, Salvador Moncho Escriva, Edward Brothers, W. Y. Fan, Sherzod Madrahimov, A. A. Bengali

Research output: Contribution to journalArticle

Abstract

UV photoexcitation of trans-(η4-BDA)Fe(CO)3 (1) in alkane solvent generated a short-lived isomeric species whose identity was confirmed by infrared spectroscopy and supported by DFT calculations. This intermediate (2) exhibits an unusual ɳ2 coordination of the benzyl group to a vacant site on the iron center and is computed to be 7.8 kcal/mol less stable than 1. While thermal substitution of the BDA ligand from 1 by phosphites was found to be very slow at room temperature, photolysis of 1 in the presence of P(OEt)3 results in BDA displacement from 2 within seconds. Intermediate 2 may be of relevance in the previously reported photocatalyic dehydrogenation of formic acid by 1.

Original languageEnglish
Pages (from-to)189-193
Number of pages5
JournalJournal of Organometallic Chemistry
Volume851
DOIs
Publication statusPublished - 1 Jan 2017

Fingerprint

formic acid
Phosphites
Alkanes
Photoexcitation
Photolysis
Formic acid
Dehydrogenation
Carbon Monoxide
dehydrogenation
photoexcitation
Discrete Fourier transforms
Paraffins
alkanes
photolysis
Infrared spectroscopy
Spectrum Analysis
Substitution reactions
Iron
Hot Temperature
infrared spectroscopy

Keywords

  • DFT calculations
  • IR spectroscopy
  • Iron
  • Organometallic
  • Photolysis

ASJC Scopus subject areas

  • Biochemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

Cite this

Detection of an unusual intermediate in the photolysis of an iron tricarbonyl complex. / Anju, R. S.; Moncho Escriva, Salvador; Brothers, Edward; Fan, W. Y.; Madrahimov, Sherzod; Bengali, A. A.

In: Journal of Organometallic Chemistry, Vol. 851, 01.01.2017, p. 189-193.

Research output: Contribution to journalArticle

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AU - Madrahimov, Sherzod

AU - Bengali, A. A.

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