Publications of Mihail Atanasov

Chakraborty, U.; Demeshko, S.; Meyer, F.; Rebreyend, C.; de Bruin, B.; Atanasov, M.; Neese, F.; Mühldorf, B.; Wolf, R. Electronic Structure and Magnetic Anisotropy of an Unsaturated Cyclopentadienyl Iron(I) Complex with 15 Valence Electrons. Angewandte Chemie International Edition 2017, 56, 7995–7999.

Schweinfurth, D.; Krzystek, J.; Atanasov, M.; Klein, J.; Hohloch, S.; Telser, J.; Demeshko, S.; Meyer, F.; Neese, F. Tuning Magnetic Anisotropy Through Ligand Substitution in Five-Coordinate Co(II) Complexes. Inorganic Chemistry 2017, 56, 5253–5265.

Suturina, E. A.; Nehrkorn, J.; Zadrozny, J. M.; Liu, J.; Atanasov, M.; Weyhermüller, T.; Maganas, D.; Hill, S.; Schnegg, A.; Bill, E.; Long, J. R.; Neese, F. Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)₄]^2– Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and Ab Initio Electronic Structure Calculations. Inorganic Chemistry 2017, 56, 3102–3118.

Ye, S.; Kupper, C.; Meyer, S.; Andris, E.; Navrátil, R.; Krahe, O.; Mondal, B.; Atanasov, M.; Bill, E.; Roithová, J.; Meyer, F.; Neese, F. Magnetic Circular Dichroism Evidence for an Unusual Electronic Structure of a Tetracarbene–Oxoiron(IV) Complex. Journal of the American Chemical Society 2016, 138, 14312–14325.

Aravena, D.; Atanasov, M.; Neese, F. Periodic Trends in Lanthanide Compounds through the Eyes of Multireference Ab Initio Theory. Inorganic Chemistry 2016, 55, 4457–4469.

Rechkemmer, Y.; Breitgoff, F. D.; van der Meer, M.; Atanasov, M.; Hakl, M.; Orlita, M.; Neugebauer, P.; Neese, F.; Sarkar, B.; van Slageren, J. A Four-Coordinate Cobalt(II) Single-Ion Magnet with Coercivity and a very High Energy Barrier. Nature Communications 2016, 7.

Werncke, G.; Suturina, E. A.; Bunting, P. C.; Vendier, L.; Long, J. R.; Atanasov, M.; Neese, F.; Sabo‐Etienne, S.; Bontemps, S. Homoleptic Two‐Coordinate Silylamido Complexes of Chromium(I), Manganese(I), and Cobalt(I). Chemistry – A European Journal 2016, 22, 1668–1674.

England, J.; Bill, E.; Weyhermüller, T.; Neese, F.; Atanasov, M.; Wieghardt, K. Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2′:6′,2″-Terpyridine, 2,2′-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study. Inorganic Chemistry 2015, 54, 12002–12018.

Stavretis, S. E.; Atanasov, M.; Podlesnyak, A. A.; Hunter, S. C.; Neese, F.; Xue, Z.-L. Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab Initio Studies of Zero-Field Splittings. Inorganic Chemistry 2015, 54, 9790–9801.

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 2015, 54, 9948–9961.

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.

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.

Schweinfurth, D.; Sommer, M. G.; Atanasov, M.; Demeshko, S.; Hohloch, S.; Meyer, F.; Neese, F.; Sarkar, B. The Ligand Field of the Azido Ligand: Insights into Bonding Parameters and Magnetic Anisotropy in a Co(II)–Azido Complex. Journal of the American Chemical Society 2015, 137, 1993–2005.

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.

Liu, W.; Christian, J. H.; Al-Oweini, R.; Bassil, B. S.; van Tol, J.; Atanasov, M.; Neese, F.; Dalal, N. S.; Kortz, U. Synthesis, Detailed Characterization, and Theoretical Understanding of Mononuclear Chromium(III)-Containing Polyoxotungstates [Cr^III(HX^VW₇O₂₈)₂]^13– (X = P, As) with Exceptionally Large Magnetic Anisotropy. Inorganic Chemistry 2014, 53, 9274–9283.

Pollock, C. J.; Delgado-Jaime, M. U.; Atanasov, M.; Neese, F.; DeBeer, S. Kβ Mainline X-Ray Emission Spectroscopy as an Experimental Probe of Metal–Ligand Covalency. Journal of the American Chemical Society 2014, 136, 9453–9463.

Zadrozny, J. M.; Xiao, D. J.; Long, J. R.; Atanasov, M.; Neese, F.; Grandjean, F.; Long, G. J. Mössbauer Spectroscopy as a Probe of Magnetization Dynamics in the Linear Iron(I) and Iron(II) Complexes [Fe(C(SiMe₃)₃)₂]^1–/0. Inorganic Chemistry 2013, 52, 13123–13131.

Zadrozny, J. M.; Xiao, D. J.; Atanasov, M.; Long, G. J.; Grandjean, F.; Neese, F.; Long, J. R. Magnetic Blocking in a Linear Iron(I) Complex. Nature Chemistry 2013, 5, 577–581.

Schweinfurth, D.; Krzystek, J.; Schapiro, I.; Demeshko, S.; Klein, J.; Telser, J.; Ozarowski, A.; Su, C.-Y.; Meyer, F.; Atanasov, M.; Neese, F.; Sarkar, B. Electronic Structures of Octahedral Ni(II) Complexes with “Click” Derived Triazole Ligands: A Combined Structural, Magnetometric, Spectroscopic, and Theoretical Study. Inorganic Chemistry 2013, 52, 6880–6892.

Atanasov, M.; Surawatanawong, P.; Wieghardt, K.; Neese, F. A Theoretical Study of Zero-Field Splitting in Fe(IV)S₆ (S = 1) and Fe(III)S₆ (S = 1/2) Core Complexes, [Fe^IV(Et₂Dtc)_3−n(Mnt)_n]⁽ⁿ⁻¹⁾⁻ and [Fe^III(Et₂Dtc)_3−n(Mnt)_n]ⁿ⁻ (n = 0, 1, 2, 3): The Origin of the Magnetic Anisotropy. Coordination Chemistry Reviews 2013, 257, 27–41.