Vibrational spectroscopic and force field studies of (η5-Cp)ML3-type complexes (M=Mn, Re; L=CO, O)

É Bencze, J. Mink, C. Németh, W. A. Herrmann, B. V. Lokshin, F. E. Kühn

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

High- and low-oxidation state CpML3-type (M=Mn, Re; L=O, CO) cyclopentadienyl complexes have been investigated by vibrational spectroscopy (FTIR, FT-FIR, FT-Raman) and normal coordinate calculations. The vibrational spectra of CpMn(CO)3, CpRe(CO)3 complexes were revised and reinterpreted. For the oxo-complexes and Cp*-carbonyl compounds, Cp*Mn(CO)3 and Cp*Re(CO)3, a complete spectral assignment is proposed. The results of the normal coordinate analysis are in good agreement with the spectral evidence. The vibrational spectroscopic findings help to explain earlier observations, e.g. the significantly lower stability of CpReO3 in comparison to Cp*ReO3. Characteristic force constants have been determined for Cp and Cp* ligands. A method is described for estimating an approximate force constant for the metal cyclopentadienyl (Cp) ligand bond stretch in half sandwich type of complexes, based on the use of an effective 'spectroscopic' mass of the Cp-ligand.

Original languageEnglish
Pages (from-to)246-258
Number of pages13
JournalJournal of Organometallic Chemistry
Volume642
Issue number1-2
Publication statusPublished - 2002

Fingerprint

Carbon Monoxide
field theory (physics)
Ligands
ligands
Carbonyl compounds
Vibrational spectroscopy
Oxidation
oxidation
carbonyl compounds
Vibrational spectra
vibrational spectra
estimating
Fourier Transform Infrared Spectroscopy
Metals
Spectrum Analysis
metals
spectroscopy

Keywords

  • Cyclopentadienyl
  • Manganese
  • Oxo complexes
  • Rhenium
  • Vibrational spectroscopy

ASJC Scopus subject areas

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

Cite this

Bencze, É., Mink, J., Németh, C., Herrmann, W. A., Lokshin, B. V., & Kühn, F. E. (2002). Vibrational spectroscopic and force field studies of (η5-Cp)ML3-type complexes (M=Mn, Re; L=CO, O). Journal of Organometallic Chemistry, 642(1-2), 246-258.

Vibrational spectroscopic and force field studies of (η5-Cp)ML3-type complexes (M=Mn, Re; L=CO, O). / Bencze, É; Mink, J.; Németh, C.; Herrmann, W. A.; Lokshin, B. V.; Kühn, F. E.

In: Journal of Organometallic Chemistry, Vol. 642, No. 1-2, 2002, p. 246-258.

Research output: Contribution to journalArticle

Bencze, É, Mink, J, Németh, C, Herrmann, WA, Lokshin, BV & Kühn, FE 2002, 'Vibrational spectroscopic and force field studies of (η5-Cp)ML3-type complexes (M=Mn, Re; L=CO, O)', Journal of Organometallic Chemistry, vol. 642, no. 1-2, pp. 246-258.
Bencze, É ; Mink, J. ; Németh, C. ; Herrmann, W. A. ; Lokshin, B. V. ; Kühn, F. E. / Vibrational spectroscopic and force field studies of (η5-Cp)ML3-type complexes (M=Mn, Re; L=CO, O). In: Journal of Organometallic Chemistry. 2002 ; Vol. 642, No. 1-2. pp. 246-258.
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AU - Mink, J.

AU - Németh, C.

AU - Herrmann, W. A.

AU - Lokshin, B. V.

AU - Kühn, F. E.

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N2 - High- and low-oxidation state CpML3-type (M=Mn, Re; L=O, CO) cyclopentadienyl complexes have been investigated by vibrational spectroscopy (FTIR, FT-FIR, FT-Raman) and normal coordinate calculations. The vibrational spectra of CpMn(CO)3, CpRe(CO)3 complexes were revised and reinterpreted. For the oxo-complexes and Cp*-carbonyl compounds, Cp*Mn(CO)3 and Cp*Re(CO)3, a complete spectral assignment is proposed. The results of the normal coordinate analysis are in good agreement with the spectral evidence. The vibrational spectroscopic findings help to explain earlier observations, e.g. the significantly lower stability of CpReO3 in comparison to Cp*ReO3. Characteristic force constants have been determined for Cp and Cp* ligands. A method is described for estimating an approximate force constant for the metal cyclopentadienyl (Cp) ligand bond stretch in half sandwich type of complexes, based on the use of an effective 'spectroscopic' mass of the Cp-ligand.

AB - High- and low-oxidation state CpML3-type (M=Mn, Re; L=O, CO) cyclopentadienyl complexes have been investigated by vibrational spectroscopy (FTIR, FT-FIR, FT-Raman) and normal coordinate calculations. The vibrational spectra of CpMn(CO)3, CpRe(CO)3 complexes were revised and reinterpreted. For the oxo-complexes and Cp*-carbonyl compounds, Cp*Mn(CO)3 and Cp*Re(CO)3, a complete spectral assignment is proposed. The results of the normal coordinate analysis are in good agreement with the spectral evidence. The vibrational spectroscopic findings help to explain earlier observations, e.g. the significantly lower stability of CpReO3 in comparison to Cp*ReO3. Characteristic force constants have been determined for Cp and Cp* ligands. A method is described for estimating an approximate force constant for the metal cyclopentadienyl (Cp) ligand bond stretch in half sandwich type of complexes, based on the use of an effective 'spectroscopic' mass of the Cp-ligand.

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