Published by De Gruyter

Volume 77 Issue 6 - Special issue dedicated to Professor Martin Lerch on the occasion of his 60th birthday

Issue of Zeitschrift für Naturforschung B

Contents
Journal Overview

Publicly Available July 4, 2022

Frontmatter

Page range: i-v

Download PDF

Publicly Available July 4, 2022

Editorial

July 8, 2022

In celebration of Martin Lerch’s 60th birthday

Andreas Grohmann

Page range: 331-333

Research Articles

October 26, 2021

Sodium rare earth metal amides Na₃RE(NH₂)₆ (RE = La–Nd, Er, Yb) from ammonothermal synthesis

Sebastian Kunkel, Jonas Grill, Rainer Niewa

Page range: 335-346

Abstract

The amides Na 3 RE (NH 2 ) 6 have been obtained from the metals in supercritical ammonia under ammonobasic conditions at 573 K and 70 MPa for RE = La–Nd, and at 473 K and 40 MPa for RE = Er, Yb. All compounds are formed in the hot zone within a temperature gradient, indicating a retrograde solubility under the applied process conditions. These amides represent soluble intermediates in ammonothermal binary rare earth metal nitride synthesis. All compounds were obtained as microcrystalline powders, while single crystals of those amides containing the heavier rare earth metals could be isolated. The crystal structures were solved and refined from single-crystal and powder X-ray diffraction intensity data. The results of vibrational spectroscopy are reported. Thermal analysis measurements under inert gas atmosphere demonstrated a decomposition to the respective black binary rare earth metal nitrides RE N 1− δ .

November 30, 2021

Tm₄IrIn and Lu₄PtIn – In₄ tetrahedra embedded in RE₂₂ polyhedra

Nataliya L. Gulay, Maximilian Kai Reimann, Yaroslav M. Kalychak, Rainer Pöttgen

Page range: 347-352

Abstract

The rare earth-rich indides Tm 4 IrIn and Lu 4 PtIn were synthesized by reaction of the elements in sealed tantalum ampules in an induction furnace. Tm 4 IrIn ( a = 1340.77(4) pm) and Lu 4 PtIn ( a = 1338.0(1) pm) crystallize with the Gd 4 RhIn-type structure, space group F 4 ‾ 3 m $F\overline{4}3m$ . The Lu 4 PtIn structure was refined from single crystal X-ray diffractometer data: wR = 0.0524, 517 F 2 values and 20 variables. The striking crystal chemical motif is the fcc packing of In 4 tetrahedra with 318 pm In–In. The Lu 4 PtIn structure is closely related to the structures of Lu 13 Ni 6 In, Lu 14 Pd 3 In 3 and Lu 20 Ir 5 In 3 which all show icosahedral indium coordination and different condensation patterns that build up the indium substructure that consists of a dumbbell in Lu 14 Pd 3 In 3 and a triangle in Lu 20 Ir 5 In 3 . The results of magnetic susceptibility measurements indicate Curie-Weiss paramagnetism for Tm 4 IrIn (7.76(1) µ B per thulium atom) without magnetic ordering down to 2.5 K. Lu 4 PtIn is Pauli-paramagnetic.

January 21, 2022

Ternary rare-earth hydride oxides: stability in air and potential use as precursors for the synthesis of materials

Nicolas Zapp, Holger Kohlmann

Page range: 353-357

Abstract

Ternary rare-earth hydride oxides (or oxyhydrides) RE HO show rather high thermal stability and inertness in air. SmHO remained intact when stored in air for 12 h, while after storage for one year, it completely hydrolysed to form Sm(OH) 3 . In contrast, YHO and HoHO show only slight decomposition upon longer storage. The cation’s basicity and the air humidity apparently are crucial factors in the air stability of the compounds. Their reactions with various gases were investigated, in order to better understand factors governing the stability in air and to map their potential as precursors in materials synthesis. Both SmHO and YHO reduce CO 2 to carbon and form the metastable C -type rare-earth sesquioxides RE 2 O 3 instead of the thermodynamically stable B -type. YHO reacts with gaseous ammonia to a red powder. By X-ray diffraction, this is identified as yttrium nitride, but the color of the sample suggests it to be an oxygen-poor nitride oxide (oxynitride) phase YN 1− x O x . These results underline the potential of rare-earth hydride oxides as precursors for the synthesis of other rare-earth compounds. The stability in air, even at elevated temperatures of some rare-earth hydride oxides such as YHO and HoHO are advantageous for potential applications as functional materials.

February 14, 2022

La₂FSeTaO₄: lanthanum fluoride selenide oxotantalate or lanthanum fluoride oxoselenotantalate?

Constantin Buyer, Hagen Grossholz, Thomas Schleid

Page range: 359-365

Abstract

Following up the recently reported example La 3 F 2 Se 2 TaO 4 , colorless needle-shaped single crystals of the new compound La 2 FSeTaO 4 were obtained as an unexpected by-product from solid-state reactions between lanthanum metal, lanthanum trifluoride, lanthanum sesquioxide and selenium in a sodium-chloride flux designed to yield lanthanum oxide fluoride selenides. Silica-jacketed tantalum capsules served as reaction containers at 850 °C, but an undesired activation of the metal tubes led to the formation of a new oxotantalate. La 2 FSeTaO 4 crystallizes orthorhombically in the space group Pnma with the lattice parameters a = 1146.51(6), b = 395.16(2) and c = 1281.32(7) pm for Z = 4. The crystallographically unique Ta 5+ cations are surrounded by five oxygen atoms as square pyramids [TaO 5 ] 5– , which share trans -oriented vertices ( d (Ta–O4) = 202 pm, 2×) to form straight ∞ 1 Ta O 1 , 2 , 3 3 / 1 t O 4 2 / 2 v 3 − ${}_{\infty }^{1}\left\{{\left[\text{Ta}{\left.\text{O}1,2,3\right.}_{3/1}^{t}{\left.\text{O}4\right.}_{2/2}^{v}\right]}^{3-}\right\}$ chains propagating along [010] with isotactically aligned tips ( d (Ta–O1) = 183 pm). Embedded into a matrix of lanthanum fluoride selenide according to ∞ 3 La 2 FSe 3 + ${}_{\infty }^{3}\left\{{\left[{\text{La}}_{2}\text{FSe}\right]}^{3+}\right\}$ ( d (La–F) = 236–244 pm, d (La–Se) = 312–318 pm), which consists of two different La 3+ cations as well as singular F − and Se 2− anions, via La–O contacts ( d (La–O) = 247–274 pm), the coordination number of the La 3+ cation towards the anions F − , O 2− and Se 2– amounts to nine with tricapped trigonal prisms or capped square antiprisms as coordination polyhedra models. The tantalum cation has a distant contact with a Se 2− anion ( d (Ta⋯Se) = 317 pm), not efficiently counting to its first coordination sphere, but completing it to a quasi- octahedron.

March 11, 2022

SrAl₅Pt₃ and Sr₂Al₁₆Pt₉ – two new strontium aluminum platinides

Stefan Engel, Judith Bönnighausen, Frank Stegemann, Rachid S. Touzani, Oliver Janka

Page range: 367-379

Abstract

During attempts to synthesize new platinides in the ternary system Sr–Al–Pt, single crystals of SrAl 5 Pt 3 and Sr 2 Al 16 Pt 9 were obtained from a reaction of the elements with the nominal composition Sr 4 Al 13 Pt 9 . Both orthorhombic structures were refined based on single crystal x-ray diffraction data (SrAl 5 Pt 3 : Pnma , Wyckoff sequence c 9 , a = 2065.04(7), b = 413.74(1), c = 738.98(3) pm, wR 2 = 0.0310, 867 F 2 values, 56 variables; Sr 2 Al 16 Pt 9 : Immm , Wyckoff sequence l 4 j 2 ihga , a = 416.69(2), b = 1193.53(6), c = 1832.38(9) pm, wR 2 = 0.0517, 671 F 2 values, 49 variables); full atomic ordering was observed in both cases. In order to analyze the bonding situation of these new platinides, quantum-chemical calculations were conducted. According to density functional theory both compounds are polar intermetallics with high negative charges on the Pt atoms and covalently bonded [Al 5 Pt 3 ]/[Al 16 Pt 9 ] networks showing strong Pt–Al alongside of weak Al–Al and Pt–Pt bonding.

March 21, 2022

Hydrolysis and oxidation products of phosphine adducts to beryllium chloride

Magnus R. Buchner, Nils Spang, Sergei I. Ivlev

Page range: 381-390

Abstract

The synthesis of bis(diphenylphosphino)ethane (dppe) and PMe 3 mono-adducts [(dppe)BeCl 2 ] n and [(PMe 3 )BeCl 2 ] 2 is described and their spectroscopic properties discussed. Hydrolysis of these two compounds and of the bis(diphenylphosphino)propane (dppp) adduct to BeCl 2 gave [dppeH 2 ][BeCl 4 ], [Me 3 PH] n [Be 4 Cl 9 ] n and [dpppH 2 ][Be 2 Cl 6 ], which have been isolated and structurally characterized by single crystal X-ray diffraction. The reactions of [(PMe 3 )BeCl 2 ] 2 with p -cresole gave [Me 3 PH] 2 [Be 2 Cl 4 (OC 7 H 7 ) 2 ]. This phenoxide together with [(Me 3 PO) 2 Be 2 Cl 4 ], the oxidation product of [(PMe 3 )BeCl 2 ] 2 , have also been structurally characterized.

March 21, 2022

An unusual member of the solid solution series between cristobalite and potassium ferrate(III) obtained from hydroflux

Ralf Albrecht, Michael Ruck

Page range: 391-396

Abstract

Dark octahedral crystals of K 1− x [Fe 1− x Si x O 2 ] with x ≈ 0.2 were synthesized under ultra-alkaline conditions in a KOH hydroflux at 200 °C. The compound is a member of the solid solution series between SiO 2 and K[FeO 2 ]. Due to its SiO 2 content, K 0.8 [Fe 0.8 Si 0.2 O 2 ] is much less sensitive to moisture than K[FeO 2 ]. The crystal structure is a stuffed cristobalite with a charged framework of vertex-sharing [ M O 4/2 ] tetrahedra ( M = Fe 3+ , Si 4+ ) and potassium counter ions in the large voids of the framework. It has the pseudo-symmetry and metrics of the cubic space group F d 3 ‾ m $Fd\overline{3}m$ , but adopts the tetragonal space group I 4 1 md with four formula units in the cell. Unlike other tectosilicates of this type, the [ M O 4/2 ] − tetrahedra are not regular but distorted to disphenoids. The O atom can be modeled by a huge disk-shaped ellipsoid or, better, by split atom positions forming a six-membered ring with a diameter of 1.1 Å. The M –O distances range from 1.66(2) to 1.96(2) Å, the M –O– M angles are 135(2)°, 137(1)°, and 151(1)°.

March 23, 2022

Lithium ion transport in micro- and nanocrystalline lithium sulphide Li₂S

Maria Gombotz, Alexandra Wilkening, H. Martin R. Wilkening

Page range: 397-404

Abstract

Ion dynamics in binary Li-bearing compounds such as LiF, Li 2 O and Li 2 S is rather poor. These compounds do, however, form as decomposition products at the interface between the electrolyte and the electrode materials in lithium-based batteries. They are expected to severely influence the charge transport across this electrode-electrolyte interface and, thus, the overall performance of such systems. Yet, ion dynamics in the nanostructured forms of these binary compounds has scarcely been investigated. Here, we prepared bulk nanostructured Li 2 S through high-energy ball milling and studied its temperature-dependent ionic conductivity by means of broadband impedance spectroscopy. It turned out that, compared to the unmilled form, Li + ion conductivity in ball-milled Li 2 S increased by approximately 3 orders or magnitude. This striking increase is accompanied by a decrease of the average activation energy from ca. 0.9 eV to approximately 0.7 eV. Structural disorder, stress and local distortions are assumed to be responsible for this clear change in macroscopic transport parameters. Fast ion dynamics in or near the interfacial space charge zones might contribute to enhanced dynamics, too. We conclude that Li ion transport in interfacial Li 2 S, if present in a disordered nanostructured form in lithium-ion batteries, is much faster than originally thought for its ordered counterpart.

April 27, 2022

Partial substitution of the Mn atoms in CaMnO₃ by first row transition metal atoms: effect on oxygen vacancy formation

Benjamin Grimm, Thomas Bredow

Page range: 405-410

Abstract

Sustainable hydrogen production is one of the most challenging topics in modern energy economics. Electrochemical and thermal splitting of water are promising techniques, but are highly energy demanding. Efficient hydrogen evolution reaction catalysts can play a key role to lower the electrolysis potential and to make water splitting more feasible. Among other perovskites, CaMnO 3 has been identified as efficient electrode material due to its relatively high oxygen vacancy concentrations at elevated temperatures. But this compound needs to be further improved for technical use. In this study, the effect of Mn substitution in CaMnO 3 by 3d metals M = Sc, Ti, V, Cr, Fe, Co, Ni, Cu and Zn on the oxygen vacancy formation energy is investigated theoretically at DFT level. Vacancy formation energies, enthalpies and free enthalpies are calculated with a combination of hybrid and GGA density functionals. Configuration entropy is taken into account by calculating all possible configurations of M and oxygen vacancy site in supercell models. The calculated oxygen vacancy formation energies are strongly affected by Mn/M substitution, the most promising heteroelement being Cu. CaMn 0.875 Cu 0.125 O 2.875 and CaMn 0.875 Cu 0.125 O 2.75 are in equilibrium at 537 K, compared to 1231 K for CaMnO 2.875 /CaMnO 2.75 and 1350 K for CaMnO 3 /CaMnO 2.875 .

April 18, 2022

Cu(C₂N₄H₄)₂Br₂·2H₂O: an antiferromagnetic cyanoguanidine coordination compound and its characterization

Jing Zhang, Alex J. Corkett, Jan van Leusen, Ryky Nelson, Richard Dronskowski

Page range: 411-417

Abstract

Phase-pure copper(II) cyanoguanidine bromide hydrate, Cu(C 2 N 4 H 4 ) 2 Br 2 ·2H 2 O ( 1 ), was precipitated from aqueous solution and its structure was solved and refined from single-crystal X-ray diffraction data at 100 K. 1 crystallizes in space group P 2 1 / n with a = 12.09(3) Å, b = 3.925(9) Å, c = 13.79(3) Å, β = 96.62(6)°, Z = 2, and V = 650(2) Å 3 . The copper(II) cation is coordinated by two cyanoguanidine molecules adopting the cyanoimine shape and four bromide anions in a Jahn–Teller-distorted motif, forming infinite chains of edge-sharing octahedra along the crystallographic b axis. IR spectroscopic and magnetic susceptibility measurements were carried out in addition to density-functional electronic-structure calculations performed to assess both the magnetic ground state and the exchange interactions. Experiment and theory agree as regards antiferromagnetism and weak magnetic exchange.

May 27, 2022

Metal-mediated C–C bond formation in a platinum(II)-coordinated dipyridylmethane ligand: an unusual example of “ipso-coupling” with solvent involvement

Nadine S. Sommerfeld, Jana Gülzow, Julia Kohl, Andreas Grohmann

Page range: 419-423

Abstract

We report the chelation-assisted oxidative CH 2 extrusion from a Pt II -coordinated dipyridylmethane, resulting in the formation of a 2,2′-bipyridyl ligand. This unusual one-pot reaction (solvent: dimethylformamide, DMF), which is quantitative, proceeds in air at mildly elevated temperature, with CH 2 → C=O conversion, decarbonylation, and ipso - ipso C–C coupling of the two pyridyl residues (“fragment coupling”). It constitutes, in effect, a chelate ring contraction by one member.

April 27, 2022

Effect of composition on the Raman response of the Cu₂(Fe_xZn_1−x)SnS₄ and Cu₂(Mn_xZn_1−x)SnS₄ solid solutions

Nicole Suss, Eva M. Heppke, Fatma D. Avci, Oona Appelt, Ilias Efthimiopoulos

Page range: 425-432

Abstract

We have examined the effect of composition on the Raman-active vibrational response of the Cu 2 (Fe x Zn 1− x )SnS 4 and Cu 2 (Mn x Zn 1− x )SnS 4 solid solution series at ambient conditions. Based on these results we were able to identify the phase boundaries of the respective kesterite-type and stannite-type structures adopted by these compounds as a function of composition. In the case of Cu 2 (Fe x Zn 1− x )SnS 4 , our observations correlate very well with earlier reports. For the Cu 2 (Mn x Zn 1− x )SnS 4 series, on the other hand, we were able to clearly pinpoint the kesterite↔stannite transition for intermediate compositions for the first time, indicating that Raman spectroscopy can serve as an efficient method for monitoring subtle structural transitions in these systems.

April 29, 2022

Structural characterization of sodium and potassium 3-nitrohydrogenphthalate coordination polymers

Rita N. Jyai, Christian Näther, Wolfgang Bensch, Bikshandarkoil R. Srinivasan

Page range: 433-440

Abstract

The synthesis, crystal structures and properties of two alkali metal 3-nitrohydrogenphthalates obtained by a 1:2 reaction of M 2 CO 3 (M = K or Na) with 3-nitrophthalic acid (LH 2 ) are reported. In the anhydrous potassium coordination polymer [K(LH)] (LH = 2-carboxy-3-nitrobenzoate) 1 , the K + cation is bonded to nine oxygen atoms from six symmetry related (LH) – ligands resulting in a distorted {KO 9 } coordination polyhedron. Five of the six oxygen atoms including a nitro oxygen atom of the crystallographically unique 2-carboxy-3-nitrobenzoate are involved in metal binding. The μ 6 -bridging mode of (LH) – places the K + cations into the layers of the two-dimensional (2D) coordination polymer. Each {KO 9 } polyhedron in 1 shares edges with two other polyhedra along the b and c axes. A low temperature structure redetermination of [Na(L # H)(H 2 O) 3 ]·H 2 O (L # H = 2-carboxy-6-nitrobenzoate) 2 has revealed that the (L # H) − anion is bonded to the Na + cation in a monodentate fashion via the carbonyl oxygen atom of the –COOH group and two of the three unique aqua ligands exhibit a bridging bidentate mode stabilizing a chain polymer. The structure of compound 2 thus consists of chains of edge-sharing {NaO 6 } octahedra. Thermal decomposition of 1 or 2 results in the formation of metal carbonate residues.

April 28, 2022

Quantum thermodynamics of hydrogen in nano-structured materials—H₂ in carbon nanotubes

Aris Chatzidimitriou-Dreismann

Page range: 441-444

Abstract

Modern quantum theory of correlations predicts, and reveals, new counter-intuitive dynamical effects of hydrogen in nano-structured materials, being of considerable importance for basic research as well as for technological applications. To support this claim, here the focus is on H 2 molecules in carbon nanotubes and other nanocavities, as experimentally investigated with the well established technique of incoherent inelastic neutron scattering (INS). In particular, the experimentally determined momentum and energy transfers from an H 2 molecule in a carbon (C-) nanotube resulting in roto-translational motion along the nanotube axis, appear to (1) either violate the standard conservations laws, or (2) attribute the translating H 2 molecule a highly reduced inertia, as quantified by the effective mass M eff ≈ 0.64 a.m.u. (atomic mass units), instead of 2 a.m.u. for an isolated molecule. This counter-intuitive INS-observation has no conventional interpretation, but it can be qualitatively interpreted “from first principles” in the frame of modern theories of quantumness of correlations and Quantum Thermodynamics (QTD). This analysis also provides a surprising new physical insight: The nano-structured cavities do represent quantum systems which contribute to the quantum dynamics of the hydrogen translational dynamics, and thus to the hydrogen transport in the studied materials. This insight may also have far-reaching consequences for technological applications and material sciences (e.g. fuel cells, H storage materials, etc.), since it concerns the choice and design of “optimized” materials adsorbing or carrying hydrogen.

May 19, 2022

Synthesis, crystal structure and magnetic properties of coordination compounds of Mn(NCS)₂ with the 3-bromopyridine ligand

Christoph Krebs, Inke Jess, Magdalena Ceglarska, Michał Rams, Christian Näther

Page range: 445-451

Abstract

Reactions of Mn(NCS) 2 with 3-bromopyridine in acetonitrile lead to the formation of Mn(NCS) 2 (3-bromopyridine) 4 ( 1 ) and Mn(NCS) 2 (3-bromopyridine) 2 (MeCN) 2 ( 2 ) that were characterized by single crystal X-ray diffraction. Compounds 1 and 2 consist of discrete complexes, in which the Mn(II) cations are octahedrally coordinated by two trans -N-bonding thiocyanate anions and four pyridine ( 1 ) or two pyridine and two acetonitrile ligands ( 2 ). Thermoanalytical measurements on 1 and 2 have shown that upon heating half of the 3-bromopyridine co-ligands from 1 or both acetonitrile ligands from 2 are removed leading to a crystalline phase with the composition [Mn(NCS) 2 (3-bromopyridine) 2 ] n ( 3-II ). From dry n-butanol a phase with the same composition was obtained ( 3-I ) that corresponds to a polymorphic or isomeric form of 3-II . Crystal structure analysis of 3-I shows that in this form the Mn cations are linked by pairs of anionic ligands into linear chains. The results of magnetic measurements on 3-I show antiferromagnetic interactions along the chains and the analysis of the magnetic susceptibility using the Fisher model for chains gave a J value of −5.76(5) K.

May 24, 2022

Energy landscape for Li-ion diffusion in the garnet-type solid electrolyte Li_6.5La₃Zr_1.5Nb_0.5O₁₂ (LLZO-Nb)

Stefan Strangmüller, Maxim Avdeev, Volodymyr Baran, Patrick Walke, Anna Kirchberger, Tom Nilges, Anatoliy Senyshyn

Page range: 453-462

Abstract

A comprehensive understanding of the nexus of diffusion mechanisms on the atomic scale as well as structural influences on the ionic motion in solid electrolytes is key for further development of high-performing all-solid-state batteries. Therefore, current research not only focuses on the search for innovative materials, but also on the study of diffusion pathways and ion dynamics in ionic conductors. In this context, we report on the extended characterization of the ionic electrolyte Li 6.5 La 3 Zr 1.5 Nb 0.5 O 12 (LLZO-Nb). The commercially available material is analyzed by a combination of powder X-ray (either lab- or synchrotron-based) and neutron diffraction. Details of lithium disorder were obtained from high-resolution neutron diffraction data, from which the ionic transport of Li ions was determined by applying the maximum entropy method in combination with the one-particle potential formalism.

Open Access May 25, 2022

Wüstite (Fe_1−xO) – Thermodynamics and crystal growth

Maki Hamada, Steffen Ganschow, Detlef Klimm, George Serghiou, Hans-Josef Reichmann, Matthias Bickermann

Page range: 463-468

More Download PDF

Abstract

Iron(II) oxide, wüstite, is the iron oxide with the lowest oxygen content. Under ambient conditions it is metastable for two reasons: (1) it undergoes eutectoid decomposition to Fe and Fe 3 O 4 below ≈570° C, and (2) depending on temperature, it is thermodynamically stable only for very low oxygen partial pressures, down to below 10 −20 bar. Hence, for the growth of single crystals from the melt, the growth atmosphere must contain reducing components to keep the oxygen partial pressure on the required low level. With Ar/CO 2 /CO mixtures this aim can be reached. It is shown experimentally and by thermodynamic calculation, that the grown crystals contain carbon inclusions. Theoretically it is shown that wüstite crystals without carbon inclusions could be grown in humid N 2 /H 2 mixtures. First experiments are presented in this article, but a further adjustment of experimental parameters is required.

May 31, 2022

Prediction of a model crystal structure for Ni₂F₅ by first-principles calculations

Tilen Lindič, Shreya Sinha, Stefan Mattsson, Beate Paulus

Page range: 469-473

Abstract

Electrochemical fluorination in anhydrous HF, also known as the Simons process, is a widely used industrial method for fluorination of organic compounds. Its mechanism, being not so well understood, has long been debated and is believed to involve higher valent nickel fluorides formed on the nickel-plated anode during the process. One of these is speculated to be Ni 2 F 5 , which was previously reported in the literature and assigned via infrared spectroscopy, but its crystal structure is not yet known. We have identified known crystal structures of compounds with similar stoichiometries as Ni 2 F 5 and utilized them as a starting point for our periodic DFT investigations, applying the PBE+U method. Ni 2 F 5 as the most stable polymorph was found to be of the same crystal structure as another mixed valent fluoride, Cr 2 F 5 . The calculated lattice parameters are a = 7.24 Å, b = 7.40 Å, c = 7.08 Å and β = 118.9° with an antiferromagnetic ordering of the nickel magnetic moments.

May 30, 2022

Interfacial catalytic materials; challenge for inorganic synthetic chemistry

Robert Schlögl

Page range: 475-485

Abstract

Interfacial catalysts are indispensable functional materials in the energy transformation. The traditional empirical search strategies reach their potential. Knowledge-based approaches have not been able to deliver innovative and scalable solutions. Following a short analysis of the origin of these shortcomings a fresh attempt on the material challenge of catalysis is proposed. The approach combines functional understanding of material dynamics derived from operando analysis with digital catalysis science guiding the exploration of non-linear interactions of material genes to catalytic functions. This critically requires the ingenuity of the synthetic inorganic chemist to let us understand the reactivity of well-defined materials under the specific conditions of catalytic operation. It is the understanding of how the kinetics of phase changes brings about and destroys active sites in catalytic materials that forms the basis of realistic material concepts. A rigorous prediction and engineering of these processes may not be possible due to the complexity of options involved.

About this journal

Objective
Zeitschrift fuer Naturforschung B (ZNB) publishes novel research in all areas of inorganic chemistry, organic chemistry, and analytical chemistry. In particular, the journal focuses on solid state chemistry, coordination chemistry, main group element chemistry, synthetic organic chemistry, natural product chemistry and, to a lesser extent, on analytical chemistry. For more than 65 years Zeitschrift fuer Naturforschung B has been open to contributions from all fields of experimental and theoretical chemistry. Zeitschrift fuer Naturforschung B publishes 12 issues per volume/year. Sometimes double issues occur.

Topics

Solid state chemistry
Coordination chemistry
Main group element chemistry
Organic chemistry
Natural product chemistry

Article formats
Original (full) papers, research notes and preliminary communications, reports on specific research topics of current interest (reviews)

> Information on submission process

Volume 77 Issue 6 - Special issue dedicated to Professor Martin Lerch on the occasion of his 60th birthday

Issue of Zeitschrift für Naturforschung B

Frontmatter

In this issue

In celebration of Martin Lerch’s 60th birthday

Sodium rare earth metal amides Na3RE(NH2)6 (RE = La–Nd, Er, Yb) from ammonothermal synthesis

Abstract

Tm4IrIn and Lu4PtIn – In4 tetrahedra embedded in RE22 polyhedra

Abstract

Ternary rare-earth hydride oxides: stability in air and potential use as precursors for the synthesis of materials

Abstract

La2FSeTaO4: lanthanum fluoride selenide oxotantalate or lanthanum fluoride oxoselenotantalate?

Abstract

SrAl5Pt3 and Sr2Al16Pt9 – two new strontium aluminum platinides

Abstract

Hydrolysis and oxidation products of phosphine adducts to beryllium chloride

Abstract

An unusual member of the solid solution series between cristobalite and potassium ferrate(III) obtained from hydroflux

Abstract

Lithium ion transport in micro- and nanocrystalline lithium sulphide Li2S

Abstract

Partial substitution of the Mn atoms in CaMnO3 by first row transition metal atoms: effect on oxygen vacancy formation

Abstract

Cu(C2N4H4)2Br2·2H2O: an antiferromagnetic cyanoguanidine coordination compound and its characterization

Abstract

Metal-mediated C–C bond formation in a platinum(II)-coordinated dipyridylmethane ligand: an unusual example of “ipso-coupling” with solvent involvement

Abstract

Effect of composition on the Raman response of the Cu2(Fe x Zn1−x )SnS4 and Cu2(Mn x Zn1−x )SnS4 solid solutions

Abstract

Structural characterization of sodium and potassium 3-nitrohydrogenphthalate coordination polymers

Abstract

Quantum thermodynamics of hydrogen in nano-structured materials—H2 in carbon nanotubes

Abstract

Synthesis, crystal structure and magnetic properties of coordination compounds of Mn(NCS)2 with the 3-bromopyridine ligand

Abstract

Energy landscape for Li-ion diffusion in the garnet-type solid electrolyte Li6.5La3Zr1.5Nb0.5O12 (LLZO-Nb)

Abstract

Wüstite (Fe1−xO) – Thermodynamics and crystal growth

Abstract

Prediction of a model crystal structure for Ni2F5 by first-principles calculations

Abstract

Interfacial catalytic materials; challenge for inorganic synthetic chemistry

Abstract

Sodium rare earth metal amides Na₃RE(NH₂)₆ (RE = La–Nd, Er, Yb) from ammonothermal synthesis

Tm₄IrIn and Lu₄PtIn – In₄ tetrahedra embedded in RE₂₂ polyhedra

La₂FSeTaO₄: lanthanum fluoride selenide oxotantalate or lanthanum fluoride oxoselenotantalate?

SrAl₅Pt₃ and Sr₂Al₁₆Pt₉ – two new strontium aluminum platinides

Lithium ion transport in micro- and nanocrystalline lithium sulphide Li₂S

Partial substitution of the Mn atoms in CaMnO₃ by first row transition metal atoms: effect on oxygen vacancy formation

Cu(C₂N₄H₄)₂Br₂·2H₂O: an antiferromagnetic cyanoguanidine coordination compound and its characterization

Effect of composition on the Raman response of the Cu₂(Fe_xZn_1−x)SnS₄ and Cu₂(Mn_xZn_1−x)SnS₄ solid solutions

Quantum thermodynamics of hydrogen in nano-structured materials—H₂ in carbon nanotubes

Synthesis, crystal structure and magnetic properties of coordination compounds of Mn(NCS)₂ with the 3-bromopyridine ligand

Energy landscape for Li-ion diffusion in the garnet-type solid electrolyte Li_6.5La₃Zr_1.5Nb_0.5O₁₂ (LLZO-Nb)

Wüstite (Fe_1−xO) – Thermodynamics and crystal growth

Prediction of a model crystal structure for Ni₂F₅ by first-principles calculations