Ligand K-edge X-ray absorption spectroscopy: A direct probe of ligand-metal covalency
Glaser T, Hedman B, Hodgson KO, Solomon EI (2000)
Accounts of Chemical Research 33(12): 859-868.
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Autor*in
Glaser, ThorstenUniBi;
Hedman, B;
Hodgson, KO;
Solomon, EI
Einrichtung
Abstract / Bemerkung
Ligand K-edge X-ray absorption spectroscopy (XAS) is a new experimental probe of the covalency of a metal-ligand bond. The intensity of the ligand pre-edge feature is proportional to the mixing of ligand orbitals into the metal d orbitals. The methodology to determine covalencies in one-electron (hole) and many-electron systems is described and demonstrated for a series of metal tetrachlorides [MCl4](n-), metal tetrathiolates [M(SR)(4)](n-), and dimeric iron-sulfur (Fe-S) clusters [Fe2S2(SR)(4)](2-). It is there applied to blue Cu proteins, the Cu-A site, hydrogen bonding in Fe-S clusters, and the delocalization behavior in [2Fe-2S] vs [4Fe-4S] clusters. The covalencies determined in these studies provide important electronic structure insight into function.
Erscheinungsjahr
2000
Zeitschriftentitel
Accounts of Chemical Research
Band
33
Ausgabe
12
Seite(n)
859-868
ISSN
0001-4842
eISSN
1520-4898
Page URI
https://pub.uni-bielefeld.de/record/2398021
Zitieren
Glaser T, Hedman B, Hodgson KO, Solomon EI. Ligand K-edge X-ray absorption spectroscopy: A direct probe of ligand-metal covalency. Accounts of Chemical Research. 2000;33(12):859-868.
Glaser, T., Hedman, B., Hodgson, K. O., & Solomon, E. I. (2000). Ligand K-edge X-ray absorption spectroscopy: A direct probe of ligand-metal covalency. Accounts of Chemical Research, 33(12), 859-868. https://doi.org/10.1021/ar990125c
Glaser, Thorsten, Hedman, B, Hodgson, KO, and Solomon, EI. 2000. “Ligand K-edge X-ray absorption spectroscopy: A direct probe of ligand-metal covalency”. Accounts of Chemical Research 33 (12): 859-868.
Glaser, T., Hedman, B., Hodgson, K. O., and Solomon, E. I. (2000). Ligand K-edge X-ray absorption spectroscopy: A direct probe of ligand-metal covalency. Accounts of Chemical Research 33, 859-868.
Glaser, T., et al., 2000. Ligand K-edge X-ray absorption spectroscopy: A direct probe of ligand-metal covalency. Accounts of Chemical Research, 33(12), p 859-868.
T. Glaser, et al., “Ligand K-edge X-ray absorption spectroscopy: A direct probe of ligand-metal covalency”, Accounts of Chemical Research, vol. 33, 2000, pp. 859-868.
Glaser, T., Hedman, B., Hodgson, K.O., Solomon, E.I.: Ligand K-edge X-ray absorption spectroscopy: A direct probe of ligand-metal covalency. Accounts of Chemical Research. 33, 859-868 (2000).
Glaser, Thorsten, Hedman, B, Hodgson, KO, and Solomon, EI. “Ligand K-edge X-ray absorption spectroscopy: A direct probe of ligand-metal covalency”. Accounts of Chemical Research 33.12 (2000): 859-868.
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Dey A, Jenney FE, Adams MW, Babini E, Takahashi Y, Fukuyama K, Hodgson KO, Hedman B, Solomon EI., Science 318(5855), 2007
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Dey A, Chow M, Taniguchi K, Lugo-Mas P, Davin S, Maeda M, Kovacs JA, Odaka M, Hodgson KO, Hedman B, Solomon EI., J Am Chem Soc 128(2), 2006
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Dey A, Chow M, Taniguchi K, Lugo-Mas P, Davin S, Maeda M, Kovacs JA, Odaka M, Hodgson KO, Hedman B, Solomon EI., J Am Chem Soc 128(2), 2006
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Desulfovibrio gigas ferredoxin II: redox structural modulation of the [3Fe-4S] cluster.
Rodrigues PM, Macedo AL, Goodfellow BJ, Moura I, Moura JJ., J Biol Inorg Chem 11(3), 2006
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Rodrigues PM, Macedo AL, Goodfellow BJ, Moura I, Moura JJ., J Biol Inorg Chem 11(3), 2006
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Structural, spectroscopic and magnetic properties of M[R2P(E)NP(E)R'2]2 complexes, M = Co, Mn, E = S, Se and R, R' = Ph or iPr. Covalency of M-S bonds from experimental data and theoretical calculations.
Maganas D, Staniland SS, Grigoropoulos A, White F, Parsons S, Robertson N, Kyritsis P, Pneumatikakis G., Dalton Trans (19), 2006
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How does single oxygen atom addition affect the properties of an Fe-nitrile hydratase analogue? The compensatory role of the unmodified thiolate.
Lugo-Mas P, Dey A, Xu L, Davin SD, Benedict J, Kaminsky W, Hodgson KO, Hedman B, Solomon EI, Kovacs JA., J Am Chem Soc 128(34), 2006
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Lugo-Mas P, Dey A, Xu L, Davin SD, Benedict J, Kaminsky W, Hodgson KO, Hedman B, Solomon EI, Kovacs JA., J Am Chem Soc 128(34), 2006
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On the accuracy of density functional theory for iron-sulfur clusters.
Szilagyi RK, Winslow MA., J Comput Chem 27(12), 2006
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X-ray spectroscopy of the Mn4Ca cluster in the water-oxidation complex of Photosystem II.
Sauer K, Yano J, Yachandra VK., Photosynth Res 85(1), 2005
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Structure, function, and formation of biological iron-sulfur clusters.
Johnson DC, Dean DR, Smith AD, Johnson MK., Annu Rev Biochem 74(), 2005
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Structural measures of element-oxygen bond covalency from the changes to the delocalisation of the carboxylate ligand.
Hocking RK, Hambley TW., Dalton Trans (5), 2005
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Sulfur K-edge X-ray absorption spectroscopy as an experimental probe for S-nitroso proteins.
Szilagyi RK, Schwab DE., Biochem Biophys Res Commun 330(1), 2005
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Szilagyi RK, Schwab DE., Biochem Biophys Res Commun 330(1), 2005
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A 1,8-naphthalenediol-based unsymmetrical dinucleating ligand.
Glaser T, Liratzis I, Fröhlich R., Dalton Trans (17), 2005
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Glaser T, Liratzis I, Fröhlich R., Dalton Trans (17), 2005
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Sulfur K-edge XAS and DFT calculations on P450 model complexes: effects of hydrogen bonding on electronic structure and redox potentials.
Dey A, Okamura TA, Ueyama N, Hedman B, Hodgson KO, Solomon EI., J Am Chem Soc 127(34), 2005
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Synthetic analogues of cysteinate-ligated non-heme iron and non-corrinoid cobalt enzymes.
Kovacs JA., Chem Rev 104(2), 2004
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Kovacs JA., Chem Rev 104(2), 2004
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Heterodisulfide reductase from Methanothermobacter marburgensis contains an active-site [4Fe-4S] cluster that is directly involved in mediating heterodisulfide reduction.
Duin EC, Madadi-Kahkesh S, Hedderich R, Clay MD, Johnson MK., FEBS Lett 512(1-3), 2002
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Duin EC, Madadi-Kahkesh S, Hedderich R, Clay MD, Johnson MK., FEBS Lett 512(1-3), 2002
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Electronic structure and its relation to function in copper proteins.
Szilagyi RK, Solomon EI., Curr Opin Chem Biol 6(2), 2002
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Szilagyi RK, Solomon EI., Curr Opin Chem Biol 6(2), 2002
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Insights into properties and energetics of iron-sulfur proteins from simple clusters to nitrogenase.
Noodleman L, Lovell T, Liu T, Himo F, Torres RA., Curr Opin Chem Biol 6(2), 2002
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Noodleman L, Lovell T, Liu T, Himo F, Torres RA., Curr Opin Chem Biol 6(2), 2002
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Recent advances in bioinorganic spectroscopy.
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