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Publikationen

A luminescent Pt2Fe spin crossover complex.

B. Schäfer, T. Bauer, I. Faus, J. A. Wolny, F. Dahms, O. Fuhr, S. Lebedkin, H.-C. Wille, K. Schlage, K. Chevalier, F. Rupp, R. Diller, V. Schünemann, M. M. Kappes, M. Ruben, Dalton Trans. (2017) 46, 2289-2302.

Unusual metal-ligand charge transfer in ferrocene functionalized mu(3)-O iron carboxylates observed with Mossbauer spectroscopy 

V. Mereacre, M. Schlageter, A. Eichhoefer, T. Bauer, J.A. Wolny, V. Schünemann, A.K. Powell, J. Mag. Mat. Mater. (2016) 407, 87-91.

Surface binding, localization and storage of iron in the giant kelp Macrocystis pyrifera 

E. P. Miller, H. Auerbach, V. Schünemann, T. Tymon, C. Carrano Metallomics, 8(4), 403-411, (2016)

Nitric oxide heme interactions in nitrophorin from Cimex lectularius

R. Christmann, H. Auerbach, R.E. Berry, F.A. Walker, V. Schünemann, Hyperfine Interact. (2016) 237: 19

Site-selective detection of vibrational modes of an iron atom in a trinuclear complex

I. Faus, S. Rackwitz, J. A. Wolny, A. Banerjee, H. Kelm, H.-J. Krüger, K. Schlage, H.-C. Wille, V. Schünemann, Hyperfine Interact. (2016), 237:52

Determination of Electronic Ground State Properties of a Dinuclear Iron(II) Spin Crossover Complex

T. O. Bauer, M. Schmitz, M. Graf, H. Kelm,H.- J. Krüger, V. Schünemann, Hyperfine Interact (2016) 237: 78

Vibrational Coupling of Nearest Neighbours in 1D Spin Crossover Polymers of Rigid Bridging Ligands. A Nuclear Inelasting Scattering and DFT Study

J. Wolny, I. Faus, J. Marx, R. Rüffer, A. Chumakov, K. Schlage, H.-C. Wille, V. Schünemann, Magnetochemistry (2016) 2(2), 19

Nuclear inelastic scattering study of a dinuclear iron(II) complex showing a direct spin transition 

J. A. Wolny, Y. Garcia, I. Faus, S. Rackwitz, K. Schlage, H. -C. Wille, V. Schünemann, Hyperfine Interact (2016) 237: 65.

ATP-Dependent Electron Activation Module of Benzoyl-Coenzyme A Reductase from the Hyperthermophilic Archaeon Ferroglobus placidus

G. Schmid, H. Auerbach, A. J. Pierik, V. Schünemann, and M. Boll, Biochemistry, (2016) 55 (39), 5578–5586.

Protonation State of MnFe and FeFe Cofactors in a Ligand-Binding Oxidase Revealed by X-ray Absorption, Emission, and Vibrational Spectroscopy and QM/MM Calculations

Ramona Kositzki, Stefan Mebs, Jennifer Marx, Julia J. Griese, Nils Schuth, Martin Högbom, Volker Schünemann, and Michael Haumann, Inorg. Chem. (2016) 55 (19), pp 9869–9885.

 Divergent Coordination Chemistry: Parallel Synthesis of [2×2] Iron(II) Grid-Complex Tauto-Conformers;

B. Schäfer, J.-F. Greisch, I. Faus, T. Bodenstein, I. Šalitroš, O. Fuhr, K. Fink, V. Schünemann, M. M. Kappes, and M. Ruben, Angew.Chem. Int. Ed.(2016) 55,10881 –10885.

Cyclopentadienide Ligand CpC– Possessing Intrinsic Helical Chirality and Its Ferrocene Analogues

G. J.-Y. Chung, C. Schulz, H. Bauer, Y. Sun, H. Sitzmann, H. Auerbach, A. J. Pierik, V. Schünemann, A. Neuba, W. R. Thiel, ORGANOMETALLICS, (2015) 34(22), 5374-5382. 

Nuclear Resonance Scattering of Synchrotron Radiation using 187Os

D. Bessas, I. Sergueev, D. G. Merkel, A. I. Chumakov, R. Rüffer, A. Jafari, J. A. Wolny, V. Schünemann, R. Needham, P. J. Sadler, R. P. Hermann, Phys. Rev. (2015) B 91, 224102.

Two-Step Spin Transition in a 1D FeII 1,2,4-Triazole Chain Compound

M. M. Dȋrtu, F. Schmit, A. D. Naik, I. Rusu, A. Rotaru, S. Rackwitz, J. A. Wolny, V. Schünemann, L. Spinu, Y. Garcia, Chem. Eur. J. (2015) 21(15), 5843-5855. 

Isoprenoid biosynthesis in pathogenic bacteria: Nuclear resonance vibrational spectroscopy provides more insight into the unusual [4Fe-4S] cluster of the LytB/IspH Protein

I. Faus, A. Reinhard, S. Rackwitz, J. A. Wolny, K. Schlage, H.-C. Wille, A. Chumakov, S. Krasutsky, P. Chaignon, C. D. Poulter, M. Seemann, V. Schünemann, Angew. Chem. Int. Ed. (2015) 54(43), 12584-12587.

A new iron-based carbon monoxide oxidation catalyst: structure-activity correlation

R. Schoch, H. Huang, V. Schünemann, M. Bauer, Chemphyschem, (2014) 15 (17), 3768-75.

Enhancement of Spin Relaxation in an FeDy2Fe Coordination Cluster by Magnetic FieldsG. Peng, V. Mereacre, G.-E. Kostakis, J.-A. Wolny, V. Schünemann, A.-K. Powell, Chemistry- A European Journal (2014) 20 (39), 12381-12384.

Identifying active sites for fast NH3-SCR of NO/NO2 mixtures over Fe-ZSM-5 by operando EPR and UV-vis spectroscopy

R.-P. Valez, I. Ellmers, H. Huang, U. Bentrup, V. Schünemann, W. Grünert, A. Brückner, Journal of Catalysis. (2014) 316, 103-111.

High-Coordinate Gold(I) Complexes with Dithiocarboxylate Ligands

C. Kaub, T. Augenstein, T.-O. Bauer, E. Rothe, L. Esmezjan, V. Schünemann, P.-W. Roesky, Inorganic Chemistry. (2014) 53 (9), 4491-4499.

Nitric oxide heme interactions in nitrophorin 7 investigated by nuclear inelastic scattering

H. Auerbach, I. Faus, S. Rachwitz, J.-A. Wolny F.-A. Walker, A.-I. Chumakov, H. Ogata, M. Knipp, V. Schünemann, Hyperfine Interactions. (2014) 226 (1-3), 439-443.

High-field Mössbauer spectroscopy on dinuclear iron(II) spin crossover complexes

T.-O. Bauer, M. Schmitz, M. Graf, H. Kelm, H.-J. Krüger, V. Schünemann, Hyperfine Interactions (2014) 226 (1-3), 359-363.

Nuclear inelastic scattering studies on a dinuclear iron(II) spin crossover complex,

Faus, S. Rachwitz, J.-A. Wolny, M. Schmitz, H. Kelm, H.-J. Krüger, K. Schlage, H.-C. Wille, V. Schünemann, Hyperfine Interactions (2014) 226 (1-3), 211-216.

A new sample environment for cryogenic nuclear resonance scattering experiments on single crystals and microsamples at P01

S. Rachwitz, I. Faus, M. Schmitz, H. Kelm, H.-J. Krüger, K.-K. Andersson, H.-P. Hersleth, K. Achterhold, K. Schlage, H.-C. Wille, V. Schünemann, J.-A. Wolny, PETRA III, Hyperfine Interactions (2014) 226 (1-3), 673-678.

Experimental evidence of the vibrational coupling of nearest neighbours in 1D spin crossover polymers of rigid bridging ligands

J.-A. Wolny, S. Rackwitz, A.-I. Chumakov, I. Faus, H. Huang, R. Ruffer, K. Schlage, H.-C. Wille, V. Schünemann, Hyperfine Interactions (2014) 226 (1-3), 193-197.

Characterization of the photolyase-like iron sulfur protein PhrB from Agrobacterium tumefaciens by Mössbauer spectroscopy

T.-O. Bauer, D. Graf, T. Lamparter, V. Schünemann, Hyperfine Interactions (2014) 226 (1-3), 445-449.

Simultaneous characterization of protein coated iron oxide nanoparticles with nuclear inelastic scattering and atomic force microscopy

J. Marx, H. Huang, I. Faus, S. Rackwitz, J.-A. Wolny, K. Schlage, R. Ulber, H.-C. Wille, V. Schünemann, Hyperfine Interactions, (2014) 226 (1-3), 661-665.

Installation of a combined Raman and AFM microscope as a sample environment for nuclear resonance scattering at P01

S. Rackwitz, I. Faus, B. Lagel, J. Linden, J. Marx, E. Oesterschulze, K. Schlage, H.-C. Wille, S. Wolff, J.-A. Wolny, V. Schünemann, PETRA III, Hyperfine Interactions (2014) 226 (1-3), 667-671.

Progress in Electronic Structure Calculations on Spin-Crossover Complexes 

H. Paulsen, V. Schünemann, J.A. Wolny, Eur. J. Inorg. Chem. (2013) (5-6) 628-641.

Quantification of intramolecular cooperativity in polynuclear spin crossover Fe(II) complexes by density functional theory calculations

S. Rackwitz, W. Klopper, V. Schünemann, J. A. Wolny, Phys.  Chem.  Chem.  Phys., (2013) 15, 15450.

 Para versus Meta Ligand Substituents as a Means of Directing Magnetic Anisotropy in Fe2Dy2 Coordination Clusters

Baniodeh, V. Mereacre, N. Magnani, Y. Lan, J. A. Wolny, V. Schünemann, C. E. Anson, A. K. Powell, Chem. Commun. (2013) 49, 9666.

Spin relaxation in antiferromagnetic Fe–Fe dimers slowed down by anisotropic DyIII ions

V. Mereacre, F. Klöwer, Y. Lan, R. Clérac, J. A. Wolny, V. Schünemann, C. E. Anson, A. K. Powell, Beilstein J. Nanotechnol. (2013) 4, 807.

Ligand strain and conformations in a family of Fe(II) spin crossover hexadentate complexes involving the 2-pyridylmethyl-amino moiety: DFT modelling 

G. S. Matouzenko, S. A. Borshch, V. Schünemann, J. A. Wolny Phys. Chem. Chem. Phys. (2013) 15, 7411-7419.

Importance of Correlation Effects in hcp Iron Revealed by a Pressure-Induced Electronic Topological Transition

K. Glazyrin, L. V. Pourovskii, L. Dubrovinsky, O. Narygina, C. McCammon, B. Hewener, V. Schünemann, J. Wolny, K. Muffler, A. I. Chumakov, W. Crichton, M. Hanfland, V. B. Prakapenka, F. Tasnádi, M. Ekholm, M. Aichhorn, V. Vildosola, A. V. Ruban, M. I. Katsnelson, and I. A. Abrikosov, Phys. Rev. Lett. (2013) 110, 117206.

Facile Synthesis of Monodisperse Maghemite and Ferrite Nanocrystals from Metal Powder and Octanoic Acid    

K. S. M. Salih, P. Mamone, G. Dörr, T. O. Bauer, A. Brodyanski, C. Wagner, M. Kopnarski, R. N. K. Taylor, S. Demeshko, F. Meyer, V. Schünemann, S. Ernst, L. J. Gooßen, W. R. Thiel, Chem. Mater.(2013) 25 (8), pp 1430–1435.

Nanoscale Fe2O3-Based Catalysts for Selective Hydrogenation of Nitroarenes to Anilines

R. V. Jagadeesh, A.-E. Surkus, H. Junge, M.-M. Pohl, J. Radnik, J. Rabeah, H. Huan, V. Schünemann, A. Brückner, M. Beller, Science, 342, 1073-1076.

Ferric ion (hydr)oxo clusters in the “Venus flytrap” cleft of FbpA: Mössbauer, calorimetric and mass spectrometric studies 

Mukherjee, P. R. Bilton, L. Mackay, A. Janoschka, H. Zhu, D. Rea, P.R.R. Langridge-Smith, D. J. Campopiano, T. Teschner, A. X. Trautwein, V. Schünemann, P. J. Sadler, JBIC (2012) 17, 573-588.

Nuclear Inelastic Scattering and Mössbauer Spectroscopy as Local Probes for Ligand Binding Modes and Electronic Properties in Proteins: Vibrational Behavior of a Ferriheme Center inside a β-Barrel Protein

B. Moeser, A. Janoschka, J.A. Wolny, H. Paulsen, I. Filippov, R.E. Berry, H. Zhang, A.I. Chumakov, F.A. Walker, V. Schünemann, J. Am. Chem. Soc. (2012) 134, 4216-4228.

Vibrational properties of the polymeric spin crossover (SCO) Fe(II) complexes [{Fe(4-amino-1,2,4-triazole)3}X2]n: A nuclear inelastic scattering (NIS), Raman and DFT study

S. Rackwitz, J. A. Wolny, K. Muffler, K. Achterhold, R. Rüffer, Y. Garcia, R. Diller, V. Schünemann Phys. Chem. Chem. Phys. (2012) 14, 14650-14660.

Nuclear resonance scattering enlightens binding of cardiovascular regulatory NO to heme proteins 

B. Moeser, A. Janoschka, J.A. Wolny, H. Paulsen, I. Filippov, R.E. Berry, H. Zhang, A.I. Chumakov, F.A. Walker, V. Schünemann, ESRF Highlights 2012, Dynamics and Extreme Conditions, 48-49.

Installation of an IR microscope at the nuclear resonance beamline ID18 of ESRF

S. Rackwitz, J. A. Wolny, K. Muffler, H.-J. Krüger, S. Reh, H. Kelm, A. I. Chumakov, V. Schünemann, International Conference on the Applications of the Mössbauer Effect (ICAME 2011), September 25-30, 2011, Kobe, Japan, Hyperfine Interactions, 2012, 206, 63.

Nuclear inelastic scattering of heme proteins: from iron ligand vibrations to low energy protein modes   

B. Moeser, A. Janoschka, J. A. Wolny, I. Filipov, A.I. Chumakov, F. A. Walker, V. Schünemann, International Conference on the Applications of the Mössbauer Effect (ICAME 2011), September 25-30, 2011, Kobe, Japan, published in Hyperfine Interact. (2012) 206 (1), 19-22.

Mössbauer spectroscopy - an indispensable tool in solid state research

C. Schröder, V. Schünemann, P. Gütlich, SPECTROSCOPYEUROPE (2012) VOL. 24 NO. 4, 20-31.

Vibrational Spectroscopy of Mono- and Polynuclear Spin-Crossover Systems            

J.A. Wolny, R. Diller, V. Schüneman, Eur. J. Inorg. Chem. (2012) 2635-2648.