Adsorption of organic matter at mineral/water interfaces: 7. ATR-FTIR and quantum chemical study of lactate interactions with hematite nanoparticles
- Authors
- Ha, Juyoung; Yoon, Tae Hyun; Wang, Yingge; Musgrave, Charles B.; Brown, Gordon E., Jr.
- Issue Date
- Jul-2008
- Publisher
- AMER CHEMICAL SOC
- Citation
- LANGMUIR, v.24, no.13, pp.6683 - 6692
- Indexed
- SCIE
SCOPUS
- Journal Title
- LANGMUIR
- Volume
- 24
- Number
- 13
- Start Page
- 6683
- End Page
- 6692
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/178175
- DOI
- 10.1021/la800122v
- ISSN
- 0743-7463
- Abstract
- The interaction of the L-lactate ion (L-CH3CH(OH)COO-, Lact(-1)) with hematite (alpha-Fe2O3) nanoparticles (average diameter 11 nm) in the presence of bulk water at pH 5 and 25 degrees 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 mu mol/m(2) 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(Ill) center.
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