Carnegie Mellon University Department of Chemistry
photo of Emile Bominaar

Emile Bominaar

Associate Research Professor

Carnegie Mellon University

email:

Phone: (412) 268-5671

Fax: (412) 268-1061

Office: Mellon Institute 534

An Introduction to Optical Activity

Faculty & Research

Emile Bominaar

Associate Research Professor

Research Areas

Electronic structure; spin; transition-metal complexes; metal clusters; theory; computational; density functional theory; exchange interactions; hyperfine interactions; Mössbauer spectroscopy; magneto optical spectroscopy; magneto chemistry; bioinorganic chemistry.

  1. Transition metal complexes and metal centers in biology.
  2. Electronic structure and its relationship with molecular geometry, physical properties, and reactivity.
  3. 57Fe Mössbauer spectroscopy and magneto optics.
  4. Application of density functional theory to metal complexes.
Selected Publications

Spectroscopic and Theoretical Study of Spin-dependent Electron-transfer Interactions in an FeIII-Superoxo Complex.
H.D. Stout, S.T. Kleespies, C.W. Chiang, P.Y. Li, W.Z. Lee, L. Que, Jr., E. Münck, E.L. Bominaar, Inorg. Chem. 55 (2016) 5215–5226. 

Enzyme Substrate Complex of the H200C Variant of Homoprotochateguate 2,3-Dioxygensase: Mössbauer and Computational Studies.
K.K. Meier, M.S. Rogers, E.G. Kovaleva, J.D. Lipscomb, E.L. Bominaar, E. Münck, Inorg. Chem. 55 (2016) 5862–5870.

The Nitrogenase FeMo-cofactor Precursor Formed by NifB Protein: A Diamagnetic Eight Iron Atoms.
Y. Guo, C. Echavarri-Erasun, M. Demuez, E. Jiménez-Vicente, E.L. Bominaar, L. M. Rubio, Angew. Chem. Int. Ed. 41 (2016) 12764–12767.

Modeling TauD-J: a High-spin Nonheme Oxoiron(IV) Complex with Remarkably High Reactivity.
A.N. Biswas, M. Puri, K.K. Meier, W.N. Oloo, G.T. Rohde, E.L. Bominaar, E. Münck, Que, Jr., J. Am. Chem. Soc. 137 (2015) 2428–2431.

High Spin Mn–Oxo Complexes and their Relevance to the Oxygen Evolving Complex within Photosystem II.
R. Gupta, T. Taguchi, B. Kaiser-Lassalle, E.L. Bominaar, J. Yano, M.P. Hendrich, A.S. Borovik, Proc. Natl. Acad. Sci. 112 (2015) 5319–5324.

A Long-Lived FeIII-(Hydroperoxo) Intermediate in the Active H200C Variant of Homoprotocatechuate 2,3-Dioxygenase: Characterization by Mössbauer, Electron Paramagnetic Resonance, and Density Functional Theory Methods.
K.K. Meier, M.S. Rogers, E.G. Kovaleva, M.M. Mbughuni, E.L. Bominaar, J.D. Lipscomb, E. Münck, Inorg. Chem. 54 (2015) 10269–10280.  

Spectroscopic and Theoretical Investigation of a Complex with an [O═FeIV–O–FeIV═O] Core Related to Methane Monooxygenase Intermediate Q.
S.A. Stoian, G. Xue, E.L. Bominaar, L. Que, Jr., E. Münck, J. Am. Chem. Soc. 134 (2014)1545–1558.