Probing the surface structure of divalent transition metals using surface specific solid-state NMR spectroscopy

Environmental Science and Technology

Volumn 46, Issue 5, 2012, Pages 2806-2812

  Mason, Harris E ^a   Harley, Stephen J ^a   Maxwell, Robert S ^a   Carroll, Susan A ^a  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS SILICA; CHEMOMETRICS; FATE AND TRANSPORT; GEOCHEMICAL SYSTEMS; INNER SPHERE COMPLEXES; PARAMAGNETIC INTERACTION; PARAMAGNETIC SPECIES; PARAMAGNETS; SILANOLS; SOLID STATE NMR; SOLID-STATE NMR SPECTROSCOPY; SORPTION MODELS; SPECTRAL RESPONSE; SPECTROSCOPIC METHOD; STRUCTURAL INFORMATION; SURFACE LOADING;

PARAMAGNETIC MATERIALS; PARAMAGNETISM; POSITIVE IONS; SILICA; SOLID STATE PHYSICS; SORPTION; SPECTROSCOPIC ANALYSIS; SPHERES; TRANSITION METALS;

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

COPPER; NICKEL; SILANOL; SILICON DIOXIDE;

AMORPHOUS MEDIUM; ION EXCHANGE; NUCLEAR MAGNETIC RESONANCE; PROBE; SAMPLING; SORPTION; SPECTROSCOPY;

ABSORPTION; ARTICLE; CHEMICAL STRUCTURE; CHEMOMETRICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTON TRANSPORT; SENSITIVITY ANALYSIS; SOLID STATE; SURFACE PROPERTY;

ADSORPTION; CATIONS, DIVALENT; HYDROGEN-ION CONCENTRATION; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; METALS; MODELS, CHEMICAL; SOLUTIONS; SURFACE PROPERTIES; TIME FACTORS; TRANSITION ELEMENTS;

EID: 84857862633     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es203733c     Document Type: Article

References (37)

1. Davis, J. A.; James, R. O.; Leckie, J. O. Surface ionization and complexation at the oxide/water interface: I. Computation of electrical double layer properties in simple electrolytes J. Colloid Interface Sci. 1978, 63 (3) 480-499
2. Dzombak, D. A.; Morel, F. o. M. M. Surface complexation modeling: hydrous ferric oxide; Wiley: New York, 1990; p xvii, 393 p.
3. Criscenti, L. J.; Sverjensky, D. A. The role of electrolyte anions (ClO(4)(-), NO(3)(-), and Cl(-)) in divalent metal (M(2+)) adsorption on oxide and hydroxide surfaces in salt solutions Am. J. Sci. 1999, 299 (10) 828-899
4. Sverjensky, D. A. Interpretation and prediction of triple-layer model capacitances and the structure of the oxide-electrolyte-water interface Geochim. Cosmochim. Acta 2001, 65 (21) 3643-3655
5. Criscenti, L. J.; Sverjensky, D. A. A single-site model for divalent transition and heavy metal adsorption over a range of metal concentrations J. Colloid Interface Sci. 2002, 253 (2) 329-352
6. Karamalidis, A. K.; Dzombak, D. A. Surface complexation modeling: gibbsite; Wiley: Hoboken, NJ, 2010; p xv, 294 p.
7. Xia, K.; Mehadi, A.; Taylor, R. W.; Bleam, W. F. X-ray absorption and electron paramagnetic resonance studies of Cu(II) sorbed to silica: Surface-induced precipitation at low surface coverages J. Colloid Interface Sci. 1997, 185 (1) 252-257
8. Xia, K.; Taylor, R. W.; Bleam, W. F.; Helmke, P. A. The distribution of Cu(II) on boehmite and silica surfaces: Correlating EPR signal loss with the effective Bohr magneton number of sorbed ions J. Colloid Interface Sci. 1998, 199 (1) 77-82
9. Cheah, S. F.; Brown, G. E.; Parks, G. A. XAFS spectroscopy study of Cu(II) sorption on amorphous SiO2 and gamma-Al2O3: Effect of substrate and time on sorption complexes J. Colloid Interface Sci. 1998, 208 (1) 110-128
10. Cheah, S. F.; Brown, G. E.; Parks, G. A. XAFS study of Cu model compounds and Cu2+ sorption products on amorphous SiO2, gamma-Al2O3, and anatase Am. Mineral. 2000, 85 (1) 118-132
11. Motschi, H. Correlation of EPR-parameters with thermodynamic stability constants for copper(II) complexes Cu(II)-EPR as a probe for the surface complexation at the water/oxide interface Colloids Surf. 1984, 9 (4) 333-347
12. Hyun, S. P.; Cho, Y. H.; Hahn, P. S. An electron paramagnetic resonance study of Cu(II) sorbed on quartz J. Colloid Interface Sci. 2003, 257 (2) 179-187
13. Roberts, D. R.; Scheidegger, A. M.; Sparks, D. L. Kinetics of Mixed Ni-Al Precipitate Formation on a Soil Clay Fraction Environ. Sci. Technol. 1999, 33 (21) 3749-3754
14. Scheinost, A. C.; Ford, R. G.; Sparks, D. L. The role of Al in the formation of secondary Ni precipitates on pyrophyllite, gibbsite, talc, and amorphous silica: a DRS study Geochim. Cosmochim. Acta 1999, 63 (19-20) 3193-3203
15. Scheinost, A. C.; Sparks, D. L. Formation of Layered Single- and Double-Metal Hydroxide Precipitates at the Mineral/Water Interface: A Multiple-Scattering XAFS Analysis J. Colloid Interface Sci. 2000, 223 (2) 167-178
16. Sheng, G.; Yang, S.; Sheng, J.; Hu, J.; Tan, X.; Wang, X. Macroscopic and Microscopic Investigation of Ni(II) Sequestration on Diatomite by Batch, XPS, and EXAFS Techniques Environ. Sci. Technol. 2011, 45 (18) 7718-7726
17. Carroll, S. A.; Maxwell, R. S.; Bourcier, W.; Martin, S.; Hulsey, S. Evaluation of silica-water surface chemistry using NMR spectroscopy Geochim. Cosmochim. Acta 2002, 66 (6) 913-926
18. Houston, J. R.; Herberg, J. L.; Maxwell, R. S.; Carroll, S. A. Association of dissolved aluminum with silica: Connecting molecular structure to surface reactivity using NMR Geochim. Cosmochim. Acta 2008, 72 (14) 3326-3337
19. Kim, Y.; Kirkpatrick, R. J. Na-23 and Cs-133 NMR study of cation adsorption on mineral surfaces: Local environments, dynamics, and effects of mixed cations Geochim. Cosmochim. Acta 1997, 61 (24) 5199-5208
20. Li, W.; Feng, J.; Kwon, K. D.; Kubicki, J. D.; Phillips, B. L. Surface Speciation of Phosphate on Boehmite (gamma-AlOOH) Determined from NMR Spectroscopy Langmuir 2010, 26 (7) 4753-4761
21. Mason, H. E.; Maxwell, R. S.; Carroll, S. A. The formation of metastable aluminosilicates in the Al-Si-H2O system: Results from solution chemistry and solid-state NMR spectroscopy Geochim. Cosmochim. Acta 2011, 75 (20) 6080-6093
22. Wickramasinghe, N. P.; Ishii, Y. Sensitivity enhancement, assignment, and distance measurement in 13C solid-state NMR spectroscopy for paramagnetic systems under fast magic angle spinning J. Magn. Reson. 2006, 181 (2) 233-243
23. Wickramasinghe, N. P.; Shaibat, M. A.; Ishii, Y. Elucidating connectivity and metal-binding structures of unlabeled paramagnetic complexes by C-13 and H-1 solid-state NMR under fast magic angle spinning J. Phys. Chem. B 2007, 111 (33) 9693-9696
24. 13C NMR characterization of actinyl(VI) carbonate complexes in aqueous-solution J. Alloys Compd. 1993, 193 (1-2) 94-97
25. Cordella, C. Principal component analysis: the basic building block of chemometrics Actual. Chim. 2010, 345, 13-18
26. Ayoko, G. A.; Mostert, M. M. R.; Kokot, S. Application of chemometrics to analysis of soil pollutants TrAC, Trends Anal. Chem. 2010, 29 (5) 430-445
27. Hasegawa, T. Chemometrics for spectroscopic analysis Anal. Bioanal. Chem. 2003, 375 (1) 18-19
28. Maeder, M. Evolving factor analysis for the resolution of overlapping chromatographic peaks Anal. Chem. 1987, 59 (3) 527-530
29. de Juan, A.; Tauler, R. Chemometrics applied to unravel multicomponent processes and mixtures-Revisiting latest trends in multivariate resolution Anal. Chim. Acta 2003, 500 (1-2) 195-210
30. Tauler, R. Multivariate curve resolution applied to second order data Chemom. Intell. Lab. 1995, 30 (1) 133-146
31. Liu, C. H. C.; Maciel, G. E. The fumed silica surface: A study by NMR J. Am. Chem. Soc. 1996, 118 (21) 5103-5119
32. Kolodziejski, W.; Klinowski, J. Kinetics of cross-polarization in solid-state NMR: A guide for chemists Chem. Rev. 2002, 102 (3) 613-628
33. Crank, J. The mathematics of diffusion; Clarendon Press: Oxford, 1956; p 347.
34. Goldman, M.; Shen, L. Spin-spin relaxation in LAF3 Phys. Rev. 1966, 144 (1) 321-&
35. Loucaides, S.; Behrends, T.; Van Cappellen, P. Reactivity of biogenic silica: Surface versus bulk charge density Geochim. Cosmochim. Acta 2010, 74 (2) 517-530
36. Voronov, V. K.; Keiko, V. V.; Moskovskaya, T. E. Paramagnetic reagents for the study of the structure of heteroatomic compounds from the NMR spectra J. Struct. Chem. 1977, 18, 5
37. Vlasova, N. N. Adsorption of Cu2+ ions onto silica surface from aqueous solutions containing organic substances Colloids Surf., A 2000, 163 (2-3) 125-133