The DOI matches its Crossref record; 12 of the 12 references it cites were found in a registry or an index.
First Solvation Shell of the Cu(II) Aqua Ion: Evidence for Fivefold Coordination
Open accessAbstract
We determined the structure of the hydrated Cu(II) complex by both neutron diffraction and first-principles molecular dynamics. In contrast with the generally accepted picture, which assumes an octahedrally solvated Cu(II) ion, our experimental and theoretical results favor fivefold coordination. The simulation reveals that the solvated complex undergoes frequent transformations between square pyramidal and trigonal bipyramidal configurations. We argue that this picture is also consistent with experimental data obtained previously by visible near-infrared absorption, x-ray absorption near-edge structure, and nuclear magnetic resonance methods. The preference of the Cu(II) ion for fivefold instead of sixfold coordination, which occurs for other cations of comparable charge and size, results from a Jahn-Teller destabilization of the octahedral complex.
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Emerging Two-Dimensional Nanomaterials for Electrocatalysis
Jin, H., Guo, C., Liu, X., Liu, J., Vasileff, A., Jiao, Y., Zheng, Y., & Qiao, S.-Z. (2018) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00689 · Cited by 2,029
Brugger, J., Liu, W., Etschmann, B., Mei, Y., Sherman, D. M., & Testemale, D. (2016) · Chemical Geology · doi:10.1016/j.chemgeo.2016.10.021 · Cited by 308
Characterization of dynamics and reactivities of solvated ions by ab initio simulations
Hofer, T. S., Tran, H. T., Schwenk, C. F., & Rode, B. M. (2004) · Journal of Computational Chemistry · doi:10.1002/jcc.10374 · Cited by 277
Zhan, C.-G., & Dixon, D. A. (2004) · The Journal of Physical Chemistry A · doi:10.1021/jp0311512 · Cited by 191
Mechanistic Studies of Metal Aqua Ions: A Semi‐Historical Perspective
Lincoln, S. F. (2005) · Helvetica Chimica Acta · doi:10.1002/hlca.200590036 · Cited by 110
Metadata
- Authors
- Pasquarello, A., Petri, I., Salmon, P. S., Parisel, O., Car, R., Tóth, E., Powell, D. H., Fischer, H. E., Helm, L., & Merbach, A. E.
- Venue
- Science
- Published
- 2001-02-02
- Volume
- 291
- Issue
- 5505
- Pages
- 856-859
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W2024206386
- Cited by
- 397
- References
- 12
- FWCI
- 16.03
- Type
- journal article
- Language
- en
- Open access
- green
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- Pasquarello, A., Petri, I., Salmon, P. S., Parisel, O., Car, R., Tóth, E., Powell, D. H., Fischer, H. E., Helm, L., & Merbach, A. E. (2001). First Solvation Shell of the Cu(II) Aqua Ion: Evidence for Fivefold Coordination. Science. https://doi.org/10.1126/science.291.5505.856
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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