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Electronic structure of six-coordinate iron(III)-porphyrin NO adducts: the elusive iron(III)-NO(radical) state and its influence on the properties of these complexes.
The interaction between five-coordinate ferric hemes with bound axial imidazole ligands and nitric oxide (NO) and the corresponding model complex is studied using vibrational spectroscopy coupled to normal coordinate analysis and density functional theory calculations to reveal the thermodynamic weakness of the Fe-NO bond is an intrinsic feature that relates to the properties of the high-spin Fe(III)-NO(radical) state. Expand
Solvothermal Syntheses of Two New Thiostannates and an In-Situ Energy Dispersive X-ray Scattering Study of Their Formation
Two new thiostannates, (DBNH)(2)Sn3S6 (1) and (DBNH)(2)Cu6Sn2S8 (2), were synthesized under solvothermal conditions using Cu, Sn, S and DBN (DBN = 1,5-diazabicyclo[4.3.0]non-7-ene). Compound I is aExpand
The molecular structure of the title compound, C11H13N3S, is not planar: the maximum deviation from the mean plane of the non-H atoms is 0.521 (2) Å for an aliphatic C atom, which corresponds to anExpand
The title molecule, C9H7BrN4OS, is essentially planar, with the maximum deviation from the mean plane through the non-H atoms being 0.190 (3) Å for the terminal amine N atom. Expand
Highly efficient reversible Z-E photoisomerization of a bridged azobenzene with visible light through resolved S(1)(n pi*) absorption bands.
The observed photochromic and photoswitching properties of 1 are much more favorable than those for normal AB, making the title compound a promising candidate for interesting applications as a molecular photoswitch especially at low temperatures. Expand
Self‐Assembly of 2,8,14,20‐Tetraisobutyl‐5,11,17,23‐tetrahydroxyresorc[4]arene
We report herein the observation of a hexameric structure of a hydroxyresorc[4]arene in the solid state, enclosing a large interior space. This artificial molecular container is stabilized only byExpand
Light-induced spin change by photodissociable external ligands: a new principle for magnetic switching of molecules.
Individual molecules in homogeneous solution that are switched between the diamagnetic and paramagnetic states at room temperature by light-driven coordination-induced spin-state switching (LD-CISSS) are reported on. Expand
Solid-state transformation of [Co(NCS)2(pyridine)4] into [Co(NCS)2(pyridine)2]n: from Curie-Weiss paramagnetism to single chain magnetic behaviour.
IR spectroscopic investigations on the pyridine-deficient 1:2 compound prepared in thermal decomposition are in accordance with bridging thiocyanato anions, revealing different behaviour with Curie-Weiss paramagnetism for compound 1 and single chain magnetic behaviour for compound 2. Expand
On the Incorporation of Transition Metal Atoms into Thiostannates: Synthesis, Crystal Structures and Spectroscopic Properties of [Ni(en)3]2Sn2S6, [Ni(dap)3]2Sn2S6 · 2 H2O, [Co(tren)]2Sn2S6, and
The four new thiostannates [Ni(en)3]2Sn2S6 (1) (en = ethylenediamine), [Ni(dap)3]2Sn2S6 · 2 H2O (2) (dap = 1, 2-diaminopropane), [Co(tren)]2Sn2S6 (3) and [Ni(tren)]2Sn2S6 (4) (tren =Expand
Systematic and in situ energy dispersive X-ray diffraction investigations on the formation of lanthanide phosphonatobutanesulfonates: Ln(O(3)P-C(4)H(8)-SO(3))(H(2)O) (Ln = La-Gd).
High-throughput experiments were employed to study the influence of the molar ratios Ln:H(3)L and pH on the product formation and comparing both heating methods, microwave heating leads to fully crystallized reaction product after shorter reaction times, but neither the temperature or heating method has significant influence on the induction time. Expand