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• W2016796780 abstract "The interaction of the l-lactate ion (l-CH3CH(OH)COO−, lact−1) with hematite (α-Fe2O3) nanoparticles (average diameter 11 nm) in the presence of bulk water at pH 5 and 25 °C was examined using a combination of (1) macroscopic uptake measurements, (2) in situ attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy, and (3) density functional theory modeling at the B3LYP/6-31+G* level. Uptake measurements indicate that increasing [lact−1](aq) results in an increase in lact−1 uptake and a concomitant increase in Fe(III) release as a result of the dissolution of the hematite nanoparticles. The ATR-FTIR spectra of aqueous lact−1 and lact−1 adsorbed onto hematite nanoparticles at coverages ranging from 0.52 to 5.21 µmol/m2 showed significant differences in peak positions and shapes of carboxyl group stretches. On the basis of Gaussian fits of the spectra, we conclude that lact−1 is present as both outer-sphere and inner-sphere complexes on the hematite nanoparticles. No significant dependence of the extent of lact−1 adsorption on background electrolyte concentration was found, suggesting that the dominant adsorption mode for lact−1 is inner sphere under these conditions. On the basis of quantum chemical modeling, we suggest that inner-sphere complexes of lact−1 adsorbed on hematite nanoparticles occur dominantly as monodentate, mononuclear complexes with the hydroxyl functional group pointing away from the Fe(III) center." @default.
• W2016796780 created "2016-06-24" @default.
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• W2016796780 date "2008-06-04" @default.
• W2016796780 modified "2023-10-01" @default.
• W2016796780 title "Adsorption of Organic Matter at Mineral/Water Interfaces: 7. ATR-FTIR and Quantum Chemical Study of Lactate Interactions with Hematite Nanoparticles" @default.
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• W2016796780 doi "https://doi.org/10.1021/la800122v" @default.
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