Structural studies of oriented zirconium bis(phosphonoacetic acid) using solid-state {sup 31}P and {sup 13}C NMR

Journal Article · Wed May 20 04:00:00 EDT 1992 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/ja00037a016· OSTI ID:232152

Burwell, D A; Valentine, K G; Timmermans, J H ^[1]

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1. Princeton Univ., NJ (United States); and others

Solid-state {sup 31}P and {sup 13}C NMR spectra of uniaxially oriented films of layered zirconium bis(phosphonoacetic acid) are discussed. Prior determination of the {sup 31}P phosphonate and {sup 13}C carboxyl chemical shielding tensors in Zr(O{sub 3}PCH{sub 2}COOH){sub 2} allowed for quantitative interpretation of the chemical shift frequencies exhibited in these spectra. Structural details of the organic pendant group are elucidated by analyzing the oriented chemical shift frequency in terms of its dependence on the orientation of the chemical shielding principal axes in the static magnetic field. In Zr(O{sub 3}PCH{sub 2}COOH){sub 2}, the P-C bond was determined to lie perpendicular to the inorganic layers, and the P-C-C-O dihedral angle was calculated as 90 {+-} 15{degrees}.

• Sponsoring Organization: USDOE
• OSTI ID: 232152
• Journal Information: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 11 Vol. 114; ISSN JACSAT; ISSN 0002-7863
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
CARBON 13
NUCLEAR MAGNETIC RESONANCE
PHOSPHORUS 31
STRUCTURAL CHEMICAL ANALYSIS
ZIRCONIUM COMPOUNDS