Density functional theory of spin-coupled models for diiron-oxo proteins: Effects of oxo and hydroxo bridging on geometry, electronic structure, and magnetism-Reference-Cited by-同舟云学术

Density functional theory of spin-coupled models for diiron-oxo proteins: Effects of oxo and hydroxo bridging on geometry, electronic structure, and magnetism

Published:2002-04-08 Issue:14 Volume:116 Page:6253-6270
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Rodriguez Jorge H.,McCusker James K.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1461363

Reference77 articles.

1. (.mu.-Oxo)bis(.mu.-acetato)bis(tri-1-pyrazolylborato)diiron(III), [(HBpz3)FeO(CH3CO2)2Fe(HBpz3)]: model for the binuclear iron center of hemerythrin

2. Reversible protonation of the oxo bridge in a hemerythrin model compound. Synthesis, structure, and properties of (.mu.-hydroxo)bis(.mu.-acetato)bis[hydrotris(1-pyrazolyl)borato]diiron(III) [(HB(pz)3)Fe(OH)(O2CCH3)2Fe(HB(pz)3)2]+

3. Assembly and characterization of an accurate model for the diiron center in hemerythrin

4. Synthesis and characterization of (.mu.-hydroxo)bis(.mu.-acetato)diiron(II) and (.mu.-oxo)bis(.mu.-acetato)diiron(III) 1,4,7-trimethyl-1,4,7-triazacyclononane complexes as models for binuclear iron centers in biology; properties of the mixed valence diiron(II,III) species

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