Publikationen von Eckhard Bill

Suturina, E. A.; Maganas, D.; Bill, E.; Atanasov, M.; Neese, F.: Magneto-Structural Correlations in a Series of Pseudotetrahedral [Co^II(XR)₄]^2– Single Molecule Magnets: An ab Initio Ligand Field Study. Inorganic Chemistry 54 (20), S. 9948 - 9961 (2015)

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 137 (33), S. 10689 - 10699 (2015)

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 6 (5), S. 2909 - 2921 (2015)

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 289-290, S. 177 - 214 (2015)

Kochem, A.; Bill, E.; Neese, F.; van Gastel, M.: Mössbauer and computational investigation of a functional [NiFe] hydrogenase model complex. Chemical Communications 51 (11), S. 2099 - 2102 (2015)

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 53 (21), S. 11388 - 11395 (2014)

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 53 (33), S. 8727 - 8731 (2014)

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 5 (8), S. 3096 - 3103 (2014)

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 20 (6), S. 1602 - 1614 (2014)

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 110 (28), E2539 (2013)

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 110 (2), S. 483 - 488 (2013)

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 134 (51), S. 20745 - 20755 (2012)

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 134 (50), S. 20352 - 20364 (2012)

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. et al.; 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 134 (48), S. 19746 - 19757 (2012)

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. et al.; 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 49 (20), S. 9450 - 9459 (2010)

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 253 (19-20), S. 2352 - 2362 (2009)

Cowley, R. E.; Bill, E.; Neese, F.; Brennessel, W. W.; Holland, P. L.: Iron(II) Complexes with Redox-Active Tetrazene (RNNNNR) Ligands. Inorganic Chemistry 48 (11), S. 4828 - 4836 (2009)

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. et al.; McInnes, E. J. L.: EPR Spectroscopy of a Family of Cr^III₇M^II (M = Cd, Zn, Mn, Ni) “Wheels”: Studies of Isostructural Compounds with Different Spin Ground States. Chemistry – A European Journal 15 (13), S. 3152 - 3167 (2009)

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 14 (34), S. 10839 - 10851 (2008)

Petrenko, T.; DeBeer George, S.; Aliaga-Alcade, N.; Bill, E.; Mienert, B.; Xiao, Y.; Guo, Y.; Sturhahn, W.; Cramer, S. P.; Wieghardt, K. et al.; 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 129 (36), S. 11053 - 11060 (2007)