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Electronic Structure of Square Planar Bis(benzene-1,2-dithiolato)metal Complexes [M(L)<sub>2</sub>]<i><sup>z</sup></i> (<i>z</i> = 2−, 1−, 0; M = Ni, Pd, Pt, Cu, Au): An Experimental, Density Functional, and Correlated ab Initio Study
Kallol Ray, Thomas Weyhermüller, Frank Neese, Karl Wieghardt (2005). Electronic Structure of Square Planar Bis(benzene-1,2-dithiolato)metal Complexes [M(L)<sub>2</sub>]<i><sup>z</sup></i> (<i>z</i> = 2−, 1−, 0; M = Ni, Pd, Pt, Cu, Au): An Experimental, Density Functional, and Correlated ab Initio Study. Inorganic Chemistry, 44(15), pp. 5345-5360, DOI: 10.1021/ic0507565.
Article169 days agoMolecular and Electronic Structures of Bis-(<i>o</i>-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal−Metal Bonds
Diran Herebıan, E. Bothe, Frank Neese, Thomas Weyhermüller, Karl Wieghardt (2003). Molecular and Electronic Structures of Bis-(<i>o</i>-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, DOI: 10.1021/ja030123u.
Article169 days agoMolecular and Electronic Structure of Four‐ and Five‐Coordinate Cobalt Complexes Containing Two <i>o</i>‐Phenylenediamine‐ or Two <i>o</i>‐Aminophenol‐Type Ligands at Various Oxidation Levels: An Experimental, Density Functional, and Correlated ab initio Study
Eckhard Bill, E. Bothe, Phalguni Chaudhuri, K. Chłopek, Diran Herebıan, S.L. Kokatam, Kallol Ray, Thomas Weyhermüller, Frank Neese, Karl Wieghardt (2004). Molecular and Electronic Structure of Four‐ and Five‐Coordinate Cobalt Complexes Containing Two <i>o</i>‐Phenylenediamine‐ or Two <i>o</i>‐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, DOI: 10.1002/chem.200400850.
Article169 days agoStructural, Spectroscopic, and Computational Study of an Octahedral, Non-Heme {Fe−NO}<sup>6-8</sup> Series: [Fe(NO)(cyclam-ac)]<sup>2+/+/0</sup>
Ricardo García‐Serres, Craig A. Grapperhaus, E. Bothe, Eckhard Bill, Thomas Weyhermüller, Frank Neese, Karl Wieghardt (2004). Structural, Spectroscopic, and Computational Study of an Octahedral, Non-Heme {Fe−NO}<sup>6-8</sup> Series: [Fe(NO)(cyclam-ac)]<sup>2+/+/0</sup>. Journal of the American Chemical Society, 126(16), pp. 5138-5153, DOI: 10.1021/ja030645+.
Article169 days agoThe Electronic Structure of the Isoelectronic, Square-Planar Complexes [Fe<sup>II</sup>(L)<sub>2</sub>]<sup>2</sup><sup>-</sup>and [Co<sup>III</sup>(L<sup>Bu</sup>)<sub>2</sub>]<sup>-</sup>(L<sup>2</sup><sup>-</sup>and (L<sup>Bu</sup>)<sup>2</sup><sup>-</sup>= Benzene-1,2-dithiolates): An Experimental and Density Functional Theoretical Study
Kallol Ray, Ameerunisha Begum, Thomas Weyhermüller, Stergios Piligkos, Joris van Slageren, Frank Neese, Karl Wieghardt (2005). The Electronic Structure of the Isoelectronic, Square-Planar Complexes [Fe<sup>II</sup>(L)<sub>2</sub>]<sup>2</sup><sup>-</sup>and [Co<sup>III</sup>(L<sup>Bu</sup>)<sub>2</sub>]<sup>-</sup>(L<sup>2</sup><sup>-</sup>and (L<sup>Bu</sup>)<sup>2</sup><sup>-</sup>= Benzene-1,2-dithiolates): An Experimental and Density Functional Theoretical Study. Journal of the American Chemical Society, 127(12), pp. 4403-4415, DOI: 10.1021/ja042803i.
Article169 days ago