Publications of Eberhard Bothe

Gennari, M.; Orio, M.; Pécaut, J.; Bothe, E.; Neese, F.; Collomb, M.-N.; Duboc, C.: Influence of Mixed Thiolate/Thioether versus Dithiolate Coordination on the Accessibility of the Uncommon +I and +III Oxidation States for the Nickel Ion: An Experimental and Computational Study. Inorganic Chemistry 50 (8), pp. 3707 - 3716 (2011)

Benisvy, L.; Hammond, D.; Parker, D. J.; Davies, E. S.; Garner, C. D.; McMaster, J.; Wilson, C.; Neese, F.; Bothe, E.; Bittl, R. et al.; Teutloff, C.: Insights into the nature of the hydrogen bonding of ^·Tyr₂₇₂ in apo-galactose oxidase. Journal of Inorganic Biochemistry 101 (11-12), pp. 1859 - 1864 (2007)

Berry, J. F.; Bill, E.; Bothe, E.; Neese, F.; Wieghardt, K.: Octahedral Non-Heme Oxo and Non-Oxo Fe(IV) Complexes:  An Experimental/Theoretical Comparison. Journal of the American Chemical Society 128 (41), pp. 13515 - 13528 (2006)

Patra, A. K.; Bill, E.; Bothe, E.; Chlopek, K.; Neese, F.; Weyhermüller, T.; Stobie, K.; Ward, M. D.; McCleverty, J. A.; Wieghardt, K.: Electronic Structure of Mononuclear Bis(1,2-diaryl-1,2-ethylenedithiolato)iron Complexes Containing a Fifth Cyanide or Phosphite Ligand:  A Combined Experimental and Computational Study. Inorganic Chemistry 45 (19), pp. 7877 - 7890 (2006)

Chlopek, K.; Bothe, E.; Neese, F.; Weyhermüller, T.; Wieghardt, K.: Molecular and Electronic Structures of Tetrahedral Complexes of Nickel and Cobalt Containing N,N‘-Disubstituted, Bulky o-Diiminobenzosemiquinonate(1−) π-Radical Ligands. Inorganic Chemistry 45 (16), pp. 6298 - 6307 (2006)

Berry, J. F.; Bill, E.; Bothe, E.; DeBeer George, S.; Mienert, B.; Neese, F.; Wieghardt, K.: An Octahedral Coordination Complex of Iron(VI). Science 312 (5782), pp. 1937 - 1941 (2006)

Benisvy, L.; Bittl, R.; Bothe, E.; Garner, C. D.; McMaster, J.; Ross, S.; Teutloff, C.; Neese, F.: Phenoxyl Radicals Hydrogen‐Bonded to Imidazolium: Analogues of Tyrosyl D. of Photosystem II: High‐Field EPR and DFT Studies. Angewandte Chemie International Edition 44 (33), pp. 5314 - 5317 (2005)

Blanchard, S.; Neese, F.; Bothe, E.; Bill, E.; Weyhermüller, T.; Wieghardt, K.: Square Planar vs Tetrahedral Coordination in Diamagnetic Complexes of Nickel(II) Containing Two Bidentate π-Radical Monoanions. Inorganic Chemistry 44 (10), pp. 3636 - 3656 (2005)

Bill, E.; Bothe, E.; Chaudhuri, P.; Chlopek, K.; Herebian, D.; Kokatam, S.; Ray, K.; Weyhermüller, T.; Neese, F.; Wieghardt, K.: Molecular and Electronic Structure of Four‐ and Five‐Coordinate Cobalt Complexes Containing Two o‐Phenylenediamine‐ or Two o‐Aminophenol‐Type Ligands at Various Oxidation Levels: An Experimental, Density Functional, and Correlated ab initio Study. Chemistry – A European Journal 11 (1), pp. 204 - 224 (2004)

Paine, T. K.; Weyhermüller, T.; Slep, L. D.; Neese, F.; Bill, E.; Bothe, E.; Wieghardt, K.; Chaudhuri, P.: Nonoxovanadium(IV) and Oxovanadium(V) Complexes with Mixed O, X, O-Donor Ligands (X = S, Se, P, or PO). Inorganic Chemistry 43 (23), pp. 7324 - 7338 (2004)

García Serres, R.; Grapperhaus, C. A.; Bothe, E.; Bill, E.; Weyhermüller, T.; Neese, F.; Wieghardt, K.: Structural, Spectroscopic, and Computational Study of an Octahedral, Non-Heme {Fe−NO}^6-8 Series:  [Fe(NO)(cyclam-ac)]^2+/+/0. Journal of the American Chemical Society 126 (16), pp. 5138 - 5153 (2004)

Slep, L. D.; Mijovilovich, A.; Meyer-Klaucke, W.; Weyhermüller, T.; Bill, E.; Bothe, E.; Neese, F.; Wieghardt, K.: Mixed-Valent {Fe^IV(μ-O)(μ-carboxylato)₂Fe^III}³⁺ Core. Journal of the American Chemical Society 125 (50), pp. 15554 - 15570 (2003)

Herebian, D.; Bothe, E.; Neese, F.; Weyhermüller, T.; Wieghardt, K.: Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal−Metal Bonds. Journal of the American Chemical Society 125 (30), pp. 9116 - 9128 (2003)

Sun, X.; Chun, H.; Hildenbrand, K.; Bothe, E.; Weyhermüller, T.; Neese, F.; Wieghardt, K.: o-Iminobenzosemiquinonato(1−) and o-Amidophenolato(2−) Complexes of Palladium(II) and Platinum(II):  A Combined Experimental and Density Functional Theoretical Study. Inorganic Chemistry 41 (16), pp. 4295 - 4303 (2002)