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Studies of electronic coupling and mixed valency in metal-metal quadruply bonded complexes linked by dicarboxylate and closely related ligands

Article Abstract:

A series of complexes of the formula [[([super t]BuCO2).sub.3][M.sub.2]].sub.2][[mu]-O2C-X-CO2] where quadruply bonded metal ions are either molybdenum or tungsten and the bridge wherein one oxygen atom of the carboxylate function is replaced by a S atom or a NR group, is reviewed. The frontier molecular orbital theory interpretation of the physicochemical properties of these complexes are complemented by the electronic structure calculations employing density functional theory.

Author: Chisholm, Malcolm H., Patmore, Nathan J.
Publisher: American Chemical Society
Publication Name: Accounts of Chemical Research
Subject: Science and technology
ISSN: 0001-4842
Year: 2007
Electric properties, Carboxylic acids, Molecular orbitals

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Reactivity of high-valent iron-oxo species in enzymes and synthetic reagents: a tale of many states

Article Abstract:

The phenomenon of two-state reactivity (TSR) or multistate reactivity (MSR) in high-valent metal-oxo reagents, predicting its applicability in wide-range initiating from the bare species, through the reagents developed by Que, Nam and collaborators, to the Mn(V)-oxo substituted polyoxometalate and finally to Compound I species of heme enzymes are described.

Author: Shaik, Sason, Kumar, Devesh, Hirao, Hajime
Publisher: American Chemical Society
Publication Name: Accounts of Chemical Research
Subject: Science and technology
ISSN: 0001-4842
Year: 2007
Iron compounds, Mechanical properties, Chemical properties

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Anion binding involving [pi]-acidic heteroaromatic rings

Article Abstract:

Anion binding involving [pi]-acidic heteroaromatic rings was examined. The search for interactions between anions and five membered aromatic rings resulted in 40 hits, whereas the search for cation interactions generated only 19 hits and anion-cation interactions produced 483 hits.

Author: Teat, Simon J., Reedijk, Jan, Gamez, Patrick, Mooibroek, Tiddo J.
Publisher: American Chemical Society
Publication Name: Accounts of Chemical Research
Subject: Science and technology
ISSN: 0001-4842
Year: 2007
Chemical synthesis, Anions

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Subjects list: Research, Analysis, Electron transport, Density functionals, Density functional theory, Structure
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