CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Unidad Ejecutora - UE
Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide (III) complexes of N-(4-Nitrobenzoyl)-N',N"-bis(morpholino) phosphoric triamide
GHOLIVAND, KHODAYAR; MOSTAANZADEH, HOSSEIN; KOVAL, T.; DUSEK, M.; ERBEN, MAURICIO FEDERICO; STOECKLI-EVANS, HELEN; DELLA VÉDOVA, CARLOS OMAR
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
WILEY-BLACKWELL PUBLISHING, INC
Año: 2010 vol. 66 p. 441 - 441
New phosphoramidates with the formula RC(O)N(H)P(O)X2, R = 2-NO2C6H4, 3-NO2C6H4 and 4-NO2C6H4, X = N(CH2CH3) (1)(3), NC4H8 (4)(6), and NC4H8O (7)(9) were synthesized and characterized by 1H, 13C, 31P NMR and IR spectroscopy, and elemental analysis. The reaction of (9) with hydrated lanthanide(III) nitrate leads to ten- or ninecoordinated complexes, (10)(13). The crystal structure has been determined for (3), (5), (9), (10) and (13). In contrast to all of the previously reported similar phosphoramidate compounds, the C(O)N(H)P(O) skeleton in the free ligand (9) shows a cisoid conformation, with the C=O and P=O double bonds adopting a nearly syn conformation. Quantum chemical calculations were applied for clarifying this exceptional conformational behavior. The monodentate neutral ligand (9) is coordinated to the metal ions via the phosphoryl O atom, adopting the usual anti conformation between the C=O and P=O groups.