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Phosphorus-31 NMR spectroscopy as a probe of models for the molybdenum-phosphate interaction in oxo-type molybdoenzymes and their cofactors

Journal Article · · Inorganic Chemistry; (USA)
DOI:https://doi.org/10.1021/ic00342a025· OSTI ID:6081491
 [1]; ;  [2]
  1. Univ. of Arizona, Tucson (USA) Universitaet Muenchen, Garching (West Germany)
  2. Univ. of Arizona, Tucson (USA)
Six mononuclear oxomolybdenum(V) and dioxomolybdenum(VI) complexes containing the hydrotris(3,5-dimethyl-1-pyrazolyl)borate ligand and a catechol- or phenol-based ligand with a pendant phosphate ester have been prepared and characterized by physical methods. Molecular modeling calculations show that the nonbonded Mo{hor ellipsis}P distances are restricted to 4-8 {angstrom}, depending upon the stereochemical constraints of the ligands. {sup 31}P NMR spectra of the Mo(V) complexes exhibit line broadening due to the d{sup 1} Mo(V) center. The observed relaxation times (T{sub 1} and T{sub 2}) are sensitive to the overall structure of the model compounds, and reasonable Mo{hor ellipsis}P distances can be calculated by using the Solomon equation. 32 refs., 1 fig., 1 tab.
OSTI ID:
6081491
Journal Information:
Inorganic Chemistry; (USA), Journal Name: Inorganic Chemistry; (USA) Vol. 29:17; ISSN 0020-1669; ISSN INOCA
Country of Publication:
United States
Language:
English