The synthesis of organometal complexes from chromium hexacarbonyl with 1-methylnaphthalene ligand is reported. Two arene-chromium-tricarbonyl isomers are formed at competitive yields, featured with the metal fragment coordinated to both the methylated and the benzenic aromatic ring. A single-crystal X-ray diffraction measurement has been performed on the [(η 6- 5,6,7,8,9,10-C11H10)Cr(CO)3] isomer, which presents the metal carbonyl moiety attached to the benzenic arene ligand. The products of reaction have been studied by UV-VIS-NIR, fluorescence and 1H-NMR spectroscopies. A detailed vibrational characterisation by mean of experimental FTIR and Raman spectroscopy and DFT calculations is reported. The electron ligand donation to the metal carbonyl system, determined by FT-IR spectroscopy, has been related to the actual decrease of resonance energy of the aromatic hydrocarbon in the complex and compared with other chromium tricarbonyl complexes of different polycyclic aromatic hydrocarbons provided with the naphthalenic moiety.

Synthesesof chromium tricarbonyl organometals of 1-methyl-naphthalene and different polycyclic aromatichydrocarbons, characterization of the (C11H10)Cr(CO)3 isomers and the crystal structure of the[(η6-5,6,7,8,9,10-C11H10)Cr(CO)3] complex

ARRAIS, Aldo;DIANA, Eliano;MARABELLO, Domenica;GERVASIO, Giuliana;
2011-01-01

Abstract

The synthesis of organometal complexes from chromium hexacarbonyl with 1-methylnaphthalene ligand is reported. Two arene-chromium-tricarbonyl isomers are formed at competitive yields, featured with the metal fragment coordinated to both the methylated and the benzenic aromatic ring. A single-crystal X-ray diffraction measurement has been performed on the [(η 6- 5,6,7,8,9,10-C11H10)Cr(CO)3] isomer, which presents the metal carbonyl moiety attached to the benzenic arene ligand. The products of reaction have been studied by UV-VIS-NIR, fluorescence and 1H-NMR spectroscopies. A detailed vibrational characterisation by mean of experimental FTIR and Raman spectroscopy and DFT calculations is reported. The electron ligand donation to the metal carbonyl system, determined by FT-IR spectroscopy, has been related to the actual decrease of resonance energy of the aromatic hydrocarbon in the complex and compared with other chromium tricarbonyl complexes of different polycyclic aromatic hydrocarbons provided with the naphthalenic moiety.
2011
696
2299
2305
1-methyl-naphthalene; polycyclic aromatic hydrocarbons; chromium tricarbonyl complexes; single-crystal X-ray diffraction; vibrational spectroscopy; DFT calculation.
Aldo Arrais; Eliano Diana; Domenica Marabello; Giuliana Gervasio; Pier Luigi Stanghellini
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2318/81804
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