(1) Magneto electronics of molecules with unpaired electrons
(2) Molecular spectroscopy and its application
to bioinorganic chemistry
(1a) Theory for evaluating the effect
of electron spin on Jahn-Teller distortions in
mixed-valence clusters which explains spin states and valence delocalization
patterns in bi-, tri-, and tetranuclear clusters.
(1b) Predictions
concerning the influence of spin and valence class on the rate of
long-range electron transfer involving clusters that await experimental
test.
(1c) Interpretation
of an unusual localization-to-delocalization transition in a mutant
ferredoxin.
(2)
Theory for molecular Magnetic Linear Dichroism (MLD), which explains all
trends
in the data obtained thus far with this newly developed technique.
These properties
include band shape, field and temperature dependence of the MLD effect.
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for an Introduction to Optical
Activity.
Double exchange and vibronic coupling in mixed-valence systems. Origin
of the broken-symmetry ground state of [Fe3S4]0
cores in proteins and models.
S.A. Borshch, E.L. Bominaar, G. Blondin, J.-J. Girerd
J. Am. Chem. Soc. 115 (1993) 5155.
Double-exchange and vibronic coupling in mixed-valence systems. Electronic
structure of [Fe4S4]3+ clusters in high-potential
iron protein and related models.
E.L. Bominaar, S.A. Borshch, J.-J. Girerd
J. Am. Chem. Soc. 116 (1994) 5362.
Double exchange and vibronic coupling in mixed-valence systems. Electronic
structure if exchange-coupled siroheme–[Fe4S4]2+
chromophore in oxidized E. coli sulfite reductase.
E.L. Bominaar, Z. Hu, E. Münck, J.-J. Girerd, S. Borshch
J. Am. Chem. Soc. 117 (1995) 6976.
Mössbauer study of Cys56Ser mutant 2Fe ferredoxin from Clostridium
pasteurianum: evidence for double exchange in an [Fe2S2]+
cluster.
C. Achim, M.-P. Golinelli, E.L. Bominaar, J. Meyer, E. Münck
J. Am. Chem. Soc. 118 (1996) 8168.
Excited-state distortions and electron delocalization in mixed-valence
dimers: vibronic analysis of the near-IR absorption and resonance Raman
profiles of [Fe2(OH)3(tmtacn)2]2+.
D.R. Gamelin, E.L. Bominaar, C. Mathonière, M.L. Kirk, K. Wieghardt,
J.-J. Girerd, E.I. Solomon
Inorg. Chem. 35 (1996) 4323.
Analysis of exchange interaction and electron
delocalization as intramolecular determinants of intermolecular electron-transfer
kinetics.
E.L. Bominaar, C. Achim, S.A. Borshch, J.-J.
Girerd, E. Münck
Inorg. Chem. 36 (1997) 3689.
Aspects of valence delocalization relevant to
the kinetic properties of electron-transfer chains.
C. Achim, E.L. Bominaar, E. Münck
J.B.I.C. 3 (1998) 126.
Theory for electron transfer from a mixed-valence
dimer with paramagnetic sites to a mononuclear acceptor.
E.L. Bominaar, C. Achim, S.A. Borshch
J. Chem. Phys. 110 (1999) 11411.
Observation and interpretation of temperature-dependent
valence delocalization in the [2Fe–2S]+ cluster of a
2Fe ferredoxin from Clostridium pasteurianum.
C. Achim, E.L. Bominaar, J. Meyer, J. Peterson,
E. Münck
J. Am. Chem. Soc. 121 (1999) 3704.
Theory for magnetic linear dichroism of electronic
transitions between twofold-degenerate molecular spin
levels.
E.L. Bominaar, C. Achim, J. Peterson
J. Chem. Phys. 109 (1998) 942.
Visible region magnetic linear dichroism of ferrocytochrome
c
and deoxymyoglobin: Demonstration of a new
tool for the study of metalloproteins.
J. Peterson, L.L. Pearce, E.L. Bominaar
J. Am. Chem. Soc. 121 (1999) 5972.
Development and experimental verification of a
theory for high-field, ultralow-temperature magnetic linear
dichroism of glasses containing molecular chromophores
with spin doublet states.
E.L. Bominaar, J. Peterson
J. Chem. Phys. 111 (1999) 7512.
C&EN July 5, 1999, page 29:
Department of Chemistry
Carnegie Mellon University
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Pittsburgh, PA 15213
Email eb7g@andrew.cmu.edu
Telephone (412) 268 5671