Hanne Nuss

Max Planck Institute for Solid State Research, Stuttgart, Baden-Württemberg, Germany

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Publications (18)32.37 Total impact

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    ABSTRACT: The electron distributions in position and in momentum space of the hcp metals magnesium and zinc are investigated experimentally and compared to results of quantum-chemical calculations. Furthermore, a survey is given on recent analyses of the bonding properties of zinc and cadmium, using the method of increments. The experimental deformation densities were obtained by refining multipole models to X-ray diffraction data sets measured at 100 K with either Mo-Kα (Mg) or Ag-Kα (Zn) radiation. The final RF values (Valray/Jana2006) are 0.0028/0.0034 (Mg) and 0.0068/0.0068 (Zn). The differences to deformation densities obtained from periodic density functional calculations are discussed. The effect of dynamical electron correlation on the electron density was analyzed, using cluster models. Compton profiles were measured with 88.67 keV synchrotron radiation at beamline ID15B at the ESRF in Grenoble. Varied orientations of the samples allowed for probing the projected momentum distribution along the [100], [423] and [001] directions. Fourier transforms of the computed reciprocal form factor B(r) resulted in the corresponding theoretical Compton profiles. It is suggested that the anomalous hcp structure of zinc is favored by a kinetic balancing of the valence electrons, i.e. correlation mediated 4s-3d interactions.
    Zeitschrift für anorganische und allgemeine Chemie 04/2013; 639(11):2036–2046. · 1.16 Impact Factor
  • Hanne Nuss, Martin Jansen
    ChemInform 03/2013; 44(12).
  • Thomas Pilz, Hanne Nuss, Martin Jansen
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    ABSTRACT: The new title compound is synthesized by solid state reaction of a 2:1 mixture of LiBO2 and LiBF4 (553 K, 500 h).
    ChemInform 04/2012; 43(16).
  • Hanne Nuss, Martin Jansen
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    ABSTRACT: Cs3(O3)2(O2)·NH3 was prepared by the reaction of CsO3 and CsO2, in the presence of traces of NH4Cl, in liquid ammonia. It is the first example of a mixed alkali metal ozonide superoxide. The title compound crystallizes in the trigonal space group P3121 (No.152) with a = 929.02(3) and c = 1028.63(8) pm and three formula units per unit cell. The cesium cations, O3– and O2– together build a honeycomb-like framework structure with channels extending along [001]. The channels are occupied by ammonia molecules.
    Zeitschrift für anorganische Chemie 03/2012; 638(3‐4). · 1.16 Impact Factor
  • Thomas Pilz, Hanne Nuss, Martin Jansen
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    ABSTRACT: The new lithium fluorooxoborate, Li{sub 2}B{sub 3}O{sub 4}F{sub 3}, is obtained by a solid state reaction from LiBO{sub 2} and LiBF{sub 4} at 553 K and crystallizes in the acentric orthorhombic space group P2{sub 1}2{sub 1}2{sub 1} (no. 19) with the cell parameters a=4.8915(9), b=8.734(2), and c=12.301(2) A. Chains of fluorinated boroxine rings along the b axis consists of BO{sub 3} triangles and BO{sub 2}F{sub 2} as well as BO{sub 3}F tetrahedra. Mobile lithium ions are compensating the negative charge of the anionic chain, in which the fourfold coordinated boron atoms bear a negative formal charge. Annealing Li{sub 2}B{sub 3}O{sub 4}F{sub 3} at temperatures above 573 K leads to conversion into Li{sub 2}B{sub 6}O{sub 9}F{sub 2}. The title compound is an ionic conductor with the highest ion conductivity among the hitherto know lithium fluorooxoborates, with conductivities of 1.6 Multiplication-Sign 10{sup -9} and 1.8 Multiplication-Sign 10{sup -8} S cm{sup -1} at 473 and 523 K, respectively. - Graphical abstract: Repetition unit of Li{sub 2}B{sub 3}O{sub 4}F{sub 3}. Highlights: Black-Right-Pointing-Pointer Li{sub 2}B{sub 3}O{sub 4}F{sub 3} is the third member within the family of lithium fluorooxoborates. Black-Right-Pointing-Pointer It shows the highest lithium ion conductivity among them. Black-Right-Pointing-Pointer Chains of interconnected fluorinated boroxine rings run along the b axis. Black-Right-Pointing-Pointer Acentric space group meets the requirement for second harmonic generation.
    Journal of Solid State Chemistry 02/2012; 186. · 2.04 Impact Factor
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    ABSTRACT: The new heterometallic chain compound CrCrNi(dpa)4Cl2·Et2O (dpa = di-2,2′-pyridylamido and Et = ethyl) was synthesized by the reaction of Cr2(dpa)4 and NiCl2 in dry tetrahydrofurane. Recrystallization from CH2Cl2/ethyl ether yielded dark red, block-shaped crystals suitable for X-ray structure determination (P21/c(no. 14), a = 159.29(1), b = 157.35(1), c = 169.76(1) pm, β = 98.228(2)°, V = 4211.0(6) pm3, Z = 4). The crystal structure of the title compound exhibits an orientational disorder of the CrCrNi chains, which has been elucidated by applying a well-defined split model. The Cr–Cr distance of 203.7(2) pm within the chain indicates the presence of quadruply bonded, diamagnetic (Cr2)4+ dimers and paramagnetic, pseudo-octahedrally coordinated Ni2+ ions. This is in good agreement with the paramagnetic behavior found between 2 and 300 K, which can be described using the Curie–Weiss law. The obtained effective magnetic moment μeff of 3.45 μB clearly shows the existence of pseudo-octahedrally coordinated Ni2+ (S = 1).
    Zeitschrift für anorganische Chemie 04/2011; 637(5). · 1.16 Impact Factor
  • ChemInform 01/2008; 39(35).
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    ABSTRACT: Reaction of alkali metal ozonides (KO3, RbO3 and CsO3) with [18]crown-6 in liquid ammonia yields compounds of the composition M([18]crown-6)O3·x NH3 with M = K (x = 2), Rb (x = 1) and Cs (x = 8). The large intermolecular distance between adjacent radical anions in these compounds leads to almost ideal paramagnetic behavior according to Curie's law. Discrepancies concerning the structure of the ozonide anions in the K and Cs compound compared to a former investigation on Rb([18]crown-6)O3·NH3 have been resolved by means of DFT calculations and a single-crystal structure redetermination.
    Zeitschrift für anorganische und allgemeine Chemie 01/2008; 634(8):1291-1295. · 1.16 Impact Factor
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    ABSTRACT: Ionic Ozonides [1] were mentioned for the first time during the second half of the nineteenth century. However, fundamental aspects of their chemistry and physics remained obscure until more recently procedures had been provided that allow for their syntheses in gram-amounts, and in high purity. Respective preparative approaches start by reacting the alkali metal superoxides KO2, RbO2, or CsO2 with O2/O3 mixtures, at punctilious temperature control. Subsequently, the raw product is extracted with liquid ammonia. From the solution obtained, solid ozonides are harvested and purified by recrystallization. As rather versatile and efficient accesses to ozonides of further cations, metathesis reactions or cation exchange in liquid ammonia have been developed. The samples obtained have allowed for full structural and basic physical characterizations. All ionic ozonides known are metastable with respect to release of dioxygen, [NMe4]O3 being the most stable one (onset of rapid decomposition at 348 K). Depending on the respective crystal field, the bond lengths and angles of the ozonide anion vary significantly, and consistently, from 135 to 129 pm, and 113 to 120°, respectively. The magnetic moments of the paramagnetic O3− determined by susceptibility measurements (1.70–1.80 μB) deviate but slightly from the spin-only value for one unpaired electron. This finding complies well with the small anisotropy of the g-factors.As an achievement of possibly far reaching consequences, stable solutions of ionic ozonides in organic solvents have become available, opening the way to the use of O3− as a ligand, or synthon, in coordination and molecular chemistry.
    Zeitschrift für anorganische Chemie 06/2007; 633(9):1307 - 1315. · 1.16 Impact Factor
  • Hanne Nuss, Martin Jansen
    Angewandte Chemie International Edition 01/2007; 45(47):7969-72. · 11.34 Impact Factor
  • Hanne Nuss, Martin Jansen
    Angewandte Chemie 11/2006; 118(47):8137 - 8140.
  • Hanne Nuss, Martin Jansen
    Angewandte Chemie International Edition 05/2006; 45(26):4369 - 4371. · 11.34 Impact Factor
  • Hanne Nuss, Martin Jansen
    Angewandte Chemie 01/2006; 118(26):4476-4479.
  • Hanne Nuss, Martin Jansen
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    ABSTRACT: ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
    ChemInform 01/2006; 37(38).
  • Hanne Nuss, Martin Jansen
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    ABSTRACT: The title compound, a 1:2 adduct of 18-crown-6 and ammonia, C12H24O6·2NH3, has inversion symmetry. Two ammonia mol­ecules are connected to the crown ether above and below the cyclic plane via N—H⋯O hydrogen bonds to form a disc-like adduct.
    Acta Crystallographica Section E Structure Reports Online 10/2005; 61(10). · 0.35 Impact Factor
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    ABSTRACT: The crystal structure of the title compound, disodium 1,2,3,4-tetra­oxo-5-cyclo­hexene-5,6-diolate, 2Na+·C6O62−, is built up of alternating layers of hexa­gonally packed Na+ cations and rhodizonate dianions. The rhodizon­ate dianion has a slightly twisted conformation.
    Acta Crystallographica Section E Structure Reports Online 10/2005; 61(10). · 0.35 Impact Factor
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    ABSTRACT: The crystal structure of the new anhydrous metal squarate CuC4O4 was solved from laboratory X–ray powder diffraction data. It crystallizes in the monoclinic space group I2/a (no. 15) with the lattice parameters a = 5.6747(1), b = 8.9394(4), c = 9.4987(4) Å und β = 94.372(2)° at ambient conditions (Z = 4, RF2 = 8.24 %). The crystal structure can be reduced to a defect variant of the AlB2 type of structure ([C4O4][Cu □] ⇔ [Al][B2]) and shows channels parallel to the a axis with a free diameter of about 2.3Å. The squarate dianion, [C4O4]2−, is acting as a μ6–ligand, in this case.
    Zeitschrift für anorganische Chemie 08/2005; 631(12):2328 - 2332. · 1.16 Impact Factor
  • Zeitschrift Fur Kristallographie - Z KRISTALLOGR. 01/2005; 220:954-961.