Title: Determination of 1J(59Co–59Co) scalar coupling constants in the tetrahedral mixed-metal cluster HFeCo3(CO)10(PCyH2)(PPh2[CH2C(O)Ph]) using COSY-type NMR experiments
Abstract: Two-dimensional 59Co correlation spectroscopy (COSY) and double-quantum-filtered (DQF) COSY NMR experiments are reported for the tetrahedral mixed-metal cluster HFeCo3(CO)10(PCyH2)(PPh2[CH2C(O)Ph]), which consists from the point of view of 59Co NMR spectroscopy, of an AMX system of three-spin S = 7/2. Both 2D NMR spectra prove the existence of a J scalar coupling constant between non-equivalent 59Co nuclei. By contrast to what happens with the conventional 2D 59Co COSY NMR spectrum, it was possible to simulate the 2D 59Co DQF-COSY NMR spectrum by density matrix calculations in order to extract the values of the 1J(59Co–59Co) coupling constants. The comparison between experimental and theoretical 2D NMR spectra gives spin-couplings constants of several hundreds Hertz for this cluster.
Publication Year: 2011
Publication Date: 2011-03-01
Language: en
Type: article
Indexed In: ['crossref', 'pubmed']
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Cited By Count: 8
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