14431-99-3

Basic information

• Product Name: Acetic acid, praseodymium(3+) salt, trihydrate
• CAS NO: 14431-99-3
• Molecular Formula: C2H4O2.H2O.1/3Pr
• Mol File: 14431-99-3.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Acetic acid, praseodymium(3+) salt, trihydrate(CAS DataBase Reference)
• NIST Chemistry Reference: Acetic acid, praseodymium(3+) salt, trihydrate(14431-99-3)
• EPA Substance Registry System: Acetic acid, praseodymium(3+) salt, trihydrate(14431-99-3)

Safety Data

• Hazardous Substances Data: 14431-99-3(Hazardous Substances Data)

Upstream product

• 143314-17-4 1-ethyl-3-methylimidazolium acetate 
• 10025-90-8 praseodymium(III) chloride heptahydrate 

Relevant articles and documents

Paramagnetic ions as structural probes in solid-state NMR: Distance measurements in crystalline lanthanide acetates

The rare earth acetates M(O2CCH3)3·4H2O (M = Nd, Sm, Eu, Y) and Pr(O2CCH3)3·H2O, and the analogous deuterated compounds, have been studied by 13C MAS-NMR. The paramagnetic materials show a large range of isotropic 13C chemical shifts which result largely from contact interactions with the rare earth electronic moments. They often show substantial linebroadening, which appears to result predominantly from anisotropic bulk magnetic susceptibility broadening for the deuterated compounds; the line widths for the protonated materials are increased further because of incomplete proton decoupling. Proton spectra acquired from a largely deuterated sample indicated that the spread in proton frequencies (40 kHz for Sm(O2CCH3)3·4H2O at 4.7 T, and calculated to be approximately 200 kHz for Eu(O2CCH3)3·4H2O) is too large for decoupling to be effective with attainable 1H power levels. The deuterated materials exhibit sufficiently good resolution to allow analysis of the large 13C spinning sideband manifolds; these result mainly from dipolar coupling to the paramagnetic centers. X-ray diffraction shows that the solid solutions Y(1-x)Lnx(O2CCH3) 3·4H2O (Ln = Pr, Nd, Sm, Eu; x ≤ 0.1) crystallize with the Y(O2CCH3)3·4H2O crystal structure. MAS-NMR spectra of the 13C enriched deuterated analogues contain remarkably narrow resonances of only 100 Hz line width despite having spinning sideband envelopes spanning 1000 ppm. The paramagnetic shift anisotropies could be predicted with reasonable accuracy by considering the interactions of the nuclei with the single nearest paramagnetic ion. Ln-13C distances could also be estimated from the spectra and agreed to within 5% for the carboxyl carbons and 15% for the methyl carbons with the distances available from single-crystal X-ray diffraction studies. The different resonances in the solid solutions could then be assigned by the use of these estimated distances despite the large number of different 13C local environments. These results suggest that in favorable circumstances, paramagnetic centers can provide a means for the determination of structural information and distances from MAS-NMR.