Conformations of the nonbonded and the coordinated ligand nonamethylimidodiphosphoramide (NIPA) in the solid state and in solution: x-ray structure determinations, NMR study, and theoretical calculations on the NIPA molecule and the complex (UO/sub 2/(NIPA)/sub 2/C/sub 2/H/sub 5/OH)(ClO/sub 4/)/sub 2/

Journal Article · Wed Oct 17 04:00:00 EDT 1984 · J. Am. Chem. Soc.; (United States)

DOI:https://doi.org/10.1021/ja00333a037· OSTI ID:5961440

Bokolo, K; Courtois, A; Delpuech, J J; Elkaim, E; Protas, J; Rinaldi, D; Rodehueser, L; Rubini, P

The structures of crystalline nonamethylimidodiphosphoramide (NIPA) and its uranyl complex as determined by x-ray diffraction are compared to results from NMR spectroscopy on solutions. It is shown that in solid NIPA the P=O groups are in a trans conformation whereas in polar solvents (CH/sub 2/Cl/sub 2/, CH/sub 3/NO/sub 2/) and in the complex they are in a cis arrangement. The total energies of the two conformations were calculated theoretically and a stabilization of ca. 10 kJ mol/sup -1/ was found for the cis conformation of NIPA when surrounded by a polar solvent. /sup 31/P-/sup 31/P and /sup 31/P-/sup 15/N coupling constants were equally calculated and agree well with the values determined experimentally.

• Research Organization: Universite Nancy, Vandouvre-Les-Nancy Cedex, France
• OSTI ID: 5961440
• Journal Information: J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 106:21; ISSN JACSA
• Country of Publication: United States
• Language: English

Related Subjects

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY
400702* -- Radiochemistry & Nuclear Chemistry-- Properties of Radioactive Materials
ACTINIDE COMPOUNDS
ALKANES
CRYSTAL STRUCTURE
DATA
EXPERIMENTAL DATA
HYDROCARBONS
INFORMATION
NMR SPECTRA
NUMERICAL DATA
ORGANIC CHLORINE COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC PHOSPHORUS COMPOUNDS
ORGANOMETALLIC COMPOUNDS
SOLVENTS
SPECTRA
URANIUM COMPOUNDS
URANYL COMPOUNDS