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Kinetic Evidence for Five-Coordination in AlOH(aq) 2+ Ion
Abstract
Trivalent aluminum ions are important in natural bodies of water, but the structure of their coordination shell is a complex unsolved problem. In strong acid (pH < 3.0), Al III exists almost entirely as the octahedral Al(H 2 O) 6 3+ ion, whereas in basic conditions (pH > 7), a tetrahedral Al(OH) 4 – structure prevails. In the biochemically and geochemically critical pH range of 4.3 to 7.0, the ion structures are less clear. Other hydrolytic species, such as AlOH(aq) 2+ , exist and are traditionally assumed to be hexacoordinate. We show, however, that the kinetics of proton and water exchange on aqueous Al III , coupled with Car-Parrinello simulations, support a five-coordinate Al(H 2 O) 4 OH 2+ ion as the predominant form of AlOH(aq) 2+ under ambient conditions. This result contrasts Al III with other trivalent metal aqua ions, for which there is no evidence for stable pentacoordinate hydrolysis products.
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Shannon, R. D. (1976) · Acta Crystallographica Section A · doi:10.1107/s0567739476001551 · Cited by 66,145
Cited by
Pyrolysis of Wood/Biomass for Bio-oil: A Critical Review
Mohan, D., Pittman, C. U., & Steele, P. H. (2006) · Energy & Fuels · doi:10.1021/ef0502397 · Cited by 5,663
Large Aqueous Aluminum Hydroxide Molecules
Casey, W. H. (2006) · Chemical Reviews · doi:10.1021/cr040095d · Cited by 414
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Metadata
- Authors
- Swaddle, T. W., Rosenqvist, J., Yu, P., Bylaska, E., Phillips, B. L., & Casey, W. H.
- Venue
- Science
- Published
- 2005-06-03
- Volume
- 308
- Issue
- 5727
- Pages
- 1450-1453
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W2092328327
- Cited by
- 174
- References
- 1
- FWCI
- 8.73
- Type
- journal article
- Language
- en
- Open access
- closed
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