Hanne Nuss

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

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Publications (26)38.63 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.
    No preview · Article · Sep 2013 · Zeitschrift für anorganische und allgemeine Chemie
  • Hanne Nuss · Martin Jansen
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    ABSTRACT: The Forgotten Oxygen AnionThe Synthesis of Ionic OzonidesThe Structural Variety of Ionic OzonidesMagnetic PropertiesConclusions and PerspectivesReferences
    No preview · Article · Mar 2013 · ChemInform
  • Dilahan Aydin-Cantürk · Hanne Nuss
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    ABSTRACT: The new compound [Cr-3(dpa)(4)Cl-2][CuCl2] (1) (dpa = di-2,2'-pyridylamido) was synthesized by reacting Cr-2(dpa)(4) and anhydrous CuCl2 in dry tetrahydrofuran. Partial oxidation of Cr-2(dpa)(4) by Cu(II) forms Cr3+ ions, which coordinate to the free N donor atoms of the dpa ligands, and led to the formation of a trinuclear chain cation [Cr-3(dpa)(4)Cl-2](+). Recrystallization from CH2/Cl-2/ethyl ether yielded dark-brown, block-shaped crystals suitable for X-ray structure determination (Pccn (no. 56), a = 1246.8(5), b = 1487.3 (3), c = 2184..8 (1) pm, V = 4051.6(8). 10(6) pm(3), Z = 4). The crystal structure is composed of discrete [Cr-3(dpa)(4)Cl-2](+) cations and [CuCl2](-) anions. The Cr-3 chain comprises quadruply-bonded diamagnetic (Cr-2)(4+) dimers and a pseudo-octahedrally coordinated, paramagnetic Cr3+ ion, manifesting itself in the effective magnetic moment mu(eff) of 3.54 mu(B) (d(3), S = 3/2) and the almost ideal Curie-paramagnetic behavior observed between 2 and 300 K with a Weiss constant theta = -0.25(4) K and chi o = 4.9(7) x 10(-4) emu mol(-1).
    No preview · Article · Aug 2012 · Zeitschrift fur Naturforschung B
  • 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).
    No preview · Article · Apr 2012 · ChemInform
  • 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.
    No preview · Article · Mar 2012 · Zeitschrift für anorganische Chemie
  • 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.
    No preview · Article · Feb 2012 · Journal of Solid State Chemistry
  • Dilahan Aydin‐Cantürk · Hanne Nuss
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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).
    No preview · Article · Apr 2011 · Zeitschrift für anorganische Chemie
  • Hanne Nuss · Caterina Eberl · Martin Jansen
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    ABSTRACT: C2H7I3N2O2, monoclinic, P121/c1 (no. 14), a = 9.7290(6) Å, b = 9.0538(5) Å, c = 12.3633(7) Å,*= 110.403(1)°, V = 1020.7 Å3, Z = 4, Rgt(F) = 0.030, wRref(F2) = 0.075, T = 100 K.
    No preview · Article · Jan 2010 · Zeitschrift für Kristallographie. New crystal structures
  • Hanne Nuss · Martin Jansen
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    ABSTRACT: C 8H 24CuN 4O 8, monoclinic, P2 1/n (no. 14), a = 8.0183(5) Å, b = 7.9228(4) Å, c = 11.8272(7) Å, β = 94.338(1)°, V = 749.2 Å 3, Z = 2, R gt(F) = 0.031, wR ref(F 2) = 0.080, T = 100 K.
    No preview · Article · Jan 2010 · Zeitschrift für Kristallographie. New crystal structures
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    Hanne Nuss · Martin Jansen
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    ABSTRACT: The two new ozonide compounds K([12]crown-4)2O3 ·1.5 NH3 (1) and Rb([12]crown-4)2O3 ·1.5 NH3 (2) were synthesized from the binary alkali metal ozonides and [12]crown-4 in liquid ammonia. The air- and temperature-sensitive red, needle-shaped compounds crystallize isostructurally in the non-centrosymmetric space group Fdd2 (no. 43) with 16 formula units per unit cell. The lattice parameters are a = 26.917(8), b = 43.25(1), c = 7.823(2) Å, V = 9108(5) Å 3; and a = 26.730(6), b = 44.70(1), c = 7.739(2) Å, V = 9245(4) Å 3 for 1 and 2, respectively. The structure comprises rod-like [([M([12]crown-4)2(NH 3)]O3)2(NH3)] supramolecular units, forming a fishbone pattern parallel to (001). The ozonide anions are separated from the metal cations and interact only weakly with two ammonia molecules via N-H···O hydrogen bonds.
    Preview · Article · Sep 2009
  • Hanne Nuss · Juergen 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 of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
    No preview · Article · Aug 2008 · ChemInform
  • Hanne Nuss · Jürgen Nuss · Martin Jansen
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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.
    No preview · Article · Jul 2008 · Zeitschrift für anorganische und allgemeine Chemie
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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.
    No preview · Article · Sep 2007 · Zeitschrift für anorganische Chemie
  • Hanne Nuss · Martin Jansen
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    ABSTRACT: (Figure Presented) Rod-shaped: The supramolecular ozonide Cs 5([12]crown-4)2(O3)5 contains a distorted tetragonal packing of ∞1{Cs 8(O3)10}2- rods separated by [Cs([12]crown-4)2]+ units (see picture; Cs blue, C gray, O red). This packing arrangement leads to the shortest intermolecular O⋯O distance yet observed between adjacent ozonide ions in the solid state.
    No preview · Article · Jan 2007 · Angewandte Chemie International Edition
  • Hanne Nuss · Martin Jansen

    No preview · Article · Nov 2006 · Angewandte Chemie
  • Hanne Nuss · Martin Jansen
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    ABSTRACT: Cs([18]crown-6)Au·8NH3 was synthesized from CsAu and [18]crown-6 in liquid ammonia. The extremely air- and temperature-sensitive colorless, block-shaped crystals were analyzed by single crystal X-ray diffractometry. The compound forms triclinic crystals of space group P1 (no. 1) with a = 8.765(2), b = 11.186(2), c = 13.997(3) Å, α = 86.180(6), β = 89.669(6), γ = 83.774(6)°, V = 1361.2(4) Å3. The crystal structure consists of ammonia nets extending perpendicular to [110] in which the Cs([18]crown-6) fragments and the auride anions are embedded.
    No preview · Article · Oct 2006 · Zeitschrift fur Naturforschung B
  • 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.
    No preview · Article · Sep 2006 · ChemInform
  • Hanne Nuss · Martin Jansen
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    ABSTRACT: Goldene Brücke: Im Titelkomplex fungiert das Auridanion als Acceptor in NH⋅⋅⋅Au−-Wasserstoffbrücken (siehe Molekülstruktur; grau C, weiß H, blau N, rot O, orange Au, violett Rb). Erstmals ist es gelungen, einen H⋅⋅⋅Au−-Abstand und den entsprechenden N-H-Au-Winkel experimentell zu bestimmen.
    No preview · Article · Jun 2006 · Angewandte Chemie
  • Hanne Nuss · Martin Jansen
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    ABSTRACT: Golden bridge: In the title complex, the auride anion acts as an acceptor in N-H⋯Au- hydrogen bonds (see molecular structure; C gray, H white, N blue, O red, Au orange, Rb violet). For the first time, experimental values for an H⋯Au- distance and the corresponding N-H-Au angle could be determined. (Figure Presented).
    No preview · Article · Jun 2006 · Angewandte Chemie International Edition
  • Hanne Nuss · Martin Jansen

    No preview · Article · May 2006