Publications of Eckhard Bill

Journal Article (58)

2015
Journal Article
Al-Afyouni, M. H.; Suturina, E.; Pathak, S.; Atanasov, M.; Bill, E.; DeRosha, D. E.; Brennessel, W. W.; Neese, F.; Holland, P. L. Spin Isomers and Ligand Isomerization in a Three-Coordinate Cobalt(I) Carbonyl Complex. Journal of the American Chemical Society 2015, 137, 10689–10699.
Journal Article
Ye, S.; Xue, G.; Krivokapic, I.; Petrenko, T.; Bill, E.; Que, Jr., L.; Neese, F. Magnetic Circular Dichroism and Computational Study of Mononuclear and Dinuclear Iron(IV) Complexes. Chemical Science 2015, 6, 2909–2921.
Journal Article
Atanasov, M.; Aravena, D.; Suturina, E.; Bill, E.; Maganas, D.; Neese, F. First Principles Approach to the Electronic Structure, Magnetic Anisotropy and Spin Relaxation in Mononuclear 3d-Transition Metal Single Molecule Magnets. Coordination Chemistry Reviews 2015, 289-290, 177–214.
Journal Article
Kochem, A.; Bill, E.; Neese, F.; van Gastel, M. Mössbauer and Computational Investigation of a Functional [NiFe] Hydrogenase Model Complex. Chemical Communications 2015, 51, 2099–2102.
2014
Journal Article
King, A. E.; Nippe, M.; Atanasov, M.; Chantarojsiri, T.; Wray, C. A.; Bill, E.; Neese, F.; Long, J. R.; Chang, C. J. A Well-Defined Terminal Vanadium(III) Oxo Complex. Inorganic Chemistry 2014, 53, 11388–11395.
Journal Article
Krahe, O.; Bill, E.; Neese, F. Decay of Iron(V) Nitride Complexes By a N-N Bond‐Coupling Reaction in Solution: A Combined Spectroscopic and Theoretical Analysis. Angewandte Chemie International Edition 2014, 53, 8727–8731.
Journal Article
Bjornsson, R.; Lima, F. A.; Spatzal, T.; Weyhermüller, T.; Glatzel, P.; Bill, E.; Einsle, O.; Neese, F.; DeBeer, S. Identification of a Spin-Coupled Mo(III) in the Nitrogenase Iron–Molybdenum Cofactor. Chemical Science 2014, 5, 3096–3103.
Journal Article
Riplinger, C.; Bill, E.; Daiber, A.; Ullrich, V.; Shoun, H.; Neese, F. New Insights into the Nature of Observable Reaction Intermediates in Cytochrome P450 NO Reductase by Using a Combination of Spectroscopy and Quantum Mechanics/Molecular Mechanics Calculations. Chemistry – A European Journal 2014, 20, 1602–1614.
2013
Journal Article
Pandelia, M.-E.; Bykov, D.; Izsak, R.; Infossi, P.; Giudici-Orticoni, M.-T.; Bill, E.; Neese, F.; Lubitz, W. Reply to Mouesca et al.: Electronic Structure of the Proximal [4Fe-3S] Cluster of O2-Tolerant [NiFe] Hydrogenases. Proceedings of the National Academy of Sciences of the United States of America 2013, 110.
Journal Article
Pandelia, M.-E.; Bykov, D.; Izsak, R.; Infossi, P.; Giudici-Orticoni, M.-T.; Bill, E.; Neese, F.; Lubitz, W. Electronic Structure of the Unique [4Fe-3S] Cluster in O2-Tolerant Hydrogenases Characterized by 57Fe Mössbauer and EPR Spectroscopy. Proceedings of the National Academy of Sciences of the United States of America 2013, 110, 483–488.
2012
Journal Article
Weber, K.; Krämer, T.; Shafaat, H. S.; Weyhermüller, T.; Bill, E.; van Gastel, M.; Neese, F.; Lubitz, W. A Functional [NiFe]-Hydrogenase Model Compound That Undergoes Biologically Relevant Reversible Thiolate Protonation. Journal of the American Chemical Society 2012, 134, 20745–20755.
Journal Article
Dugan, T. R.; Bill, E.; MacLeod, K. C.; Christian, G. J.; Cowley, R. E.; Brennessel, W. W.; Ye, S.; Neese, F.; Holland, P. L. Reversible C–C Bond Formation between Redox-Active Pyridine Ligands in Iron Complexes. Journal of the American Chemical Society 2012, 134, 20352–20364.
Journal Article
McLaughlin, M. P.; Retegan, M.; Bill, E.; Payne, T. M.; Shafaat, H. S.; Peña, S.; Sudhamsu, J.; Ensign, A. A.; Crane, B. R.; Neese, F.; Holland, P. L. Azurin as a Protein Scaffold for a Low-Coordinate Nonheme Iron Site with a Small-Molecule Binding Pocket. Journal of the American Chemical Society 2012, 134, 19746–19757.
2010
Journal Article
Woertink, J. S.; Tian, L.; Maiti, D.; Lucas, H. R.; Himes, R. A.; Karlin, K. D.; Neese, F.; Würtele, C.; Holthausen, M. C.; Bill, E.; Sundermeyer, J.; Schindler, S.; Solomon, E. I. Spectroscopic and Computational Studies of an End-on Bound Superoxo-Cu(II) Complex: Geometric and Electronic Factors That Determine the Ground State. Inorganic Chemistry 2010, 49, 9450–9459.
2009
Journal Article
Piligkos, S.; Slep, L. D.; Weyhermüller, T.; Chaudhuri, P.; Bill, E.; Neese, F. Magnetic Circular Dichroism Spectroscopy of Weakly Exchange Coupled Transition Metal Dimers: A Model Study. Coordination Chemistry Reviews 2009, 253, 2352–2362.
Journal Article
Cowley, R. E.; Bill, E.; Neese, F.; Brennessel, W. W.; Holland, P. L. Iron(II) Complexes with Redox-Active Tetrazene (RNNNNR) Ligands. Inorganic Chemistry 2009, 48, 4828–4836.
Journal Article
Piligkos, S.; Weihe, H.; Bill, E.; Neese, F.; El Mkami, H.; Smith, G. M.; Collison, D.; Rajaraman, G.; Timco, G. A.; Winpenny, R. E. P.; McInnes, E. J. L. EPR Spectroscopy of a Family of CrIII7MII (M = Cd, Zn, Mn, Ni) “Wheels”: Studies of Isostructural Compounds with Different Spin Ground States. Chemistry – A European Journal 2009, 15, 3152–3167.
2008
Journal Article
Ye, S.; Tuttle, T.; Bill, E.; Simkhovich, L.; Gross, Z.; Thiel, W.; Neese, F. The Electronic Structure of Iron Corroles: A Combined Experimental and Quantum Chemical Study. Chemistry – A European Journal 2008, 14, 10839–10851.
2007
Journal Article
Petrenko, T.; DeBeer George, S.; Aliaga-Alcade, N.; Bill, E.; Mienert, B.; Xiao, Y.; Guo, Y. S.; Sturhahn, W.; Cramer, S. P.; Wieghardt, K.; Neese, F. Characterization of a Genuine Iron(V)−Nitrido Species by Nuclear Resonant Vibrational Spectroscopy Coupled to Density Functional Calculations. Journal of the American Chemical Society 2007, 129, 11053–11060.
Journal Article
Kokatam, S.; Ray, K.; Pap, J.; Bill, E.; Geiger, W. E.; LeSuer, R. J.; Rieger, P. H.; Weyhermüller, T.; Neese, F.; Wieghardt, K. Molecular and Electronic Structure of Square-Planar Gold Complexes Containing Two 1,2-Di(4-Tert-Butylphenyl)Ethylene-1,2-Dithiolato Ligands:  [Au(2L)2]1+/0/1-/2-. A Combined Experimental and Computational Study. Inorganic Chemistry 2007, 46, 1100–1111.
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