Zeitschrift für Naturforschung B最新文献

{"title":"Radical cations of chalcogenanthrenes with halogenido metalate anions. Part I: tetramethoxythianthrene","authors":"Karen-Christina Schipmann, Jörg Daniels, Johannes Beck","doi":"10.1515/znb-2024-0016","DOIUrl":"https://doi.org/10.1515/znb-2024-0016","url":null,"abstract":"The electron-rich molecule tetramethoxythianthrene TMO-TA can readily be oxidized to the radical cation using various transition metal halides in acetonitrile as solvent. Reactions with CuBr<jats:sub>2</jats:sub>, FeCl<jats:sub>3</jats:sub>, AuCl<jats:sub>3</jats:sub>, NbCl<jats:sub>5</jats:sub>, and CuCl<jats:sub>2</jats:sub> yield dark blue or black crystals of [TMO-TA]<jats:sub>2</jats:sub>[CuBr<jats:sub>4</jats:sub>] (2), [TMO-TA][FeCl<jats:sub>4</jats:sub>] · CH<jats:sub>3</jats:sub>CN (3), [TMO-TA][AuCl<jats:sub>4</jats:sub>] (4), [TMO-TA][NbCl<jats:sub>6</jats:sub>] · CH<jats:sub>3</jats:sub>CN (6), and [TMO-TA]<jats:sub>5</jats:sub>[Cu<jats:sub>2</jats:sub>Cl<jats:sub>6</jats:sub>]<jats:sub>2</jats:sub> · 2 CH<jats:sub>3</jats:sub>CN (7). [TMO-TA]<jats:sub>2</jats:sub>[Ta<jats:sub>2</jats:sub>OF<jats:sub>10</jats:sub>] (5) was obtained by anodic oxidation of TMO-TA in the presence of (Nbu<jats:sub>4</jats:sub>)<jats:sub>2</jats:sub>[Ta<jats:sub>2</jats:sub>OF<jats:sub>10</jats:sub>] as electrolyte. Using mercury(II) bromide, no redox reaction occurs. Instead, the colorless complex [HgBr<jats:sub>2</jats:sub>(TMO-TA)] (1) is formed. In the crystal structures of the compounds 2–7, the almost planar radical cations show different types of arrangements. Pair formation of the [TMO-TA]<jats:sup>•+</jats:sup> radicals to [TMO-TA]<jats:sub>2</jats:sub> <jats:sup>2+</jats:sup> dimers with the typical intra-pair S⋯S bonds of 3.1–3.2 Å lengths is predominant. Compounds 6 and 7 contain stacks of planar TMO-TA molecules in equidistant arrangement without pair formation and the unique feature of rotation of each adjacent cation by about 30°. Compounds 2, 5, and 7 are electrical semiconductors with band gaps between 0.62 and 1.4 eV, reflecting the arrangement of the radical cations. While 5 is diamagnetic, the magnetic momenta of 2 and 7 correspond only to the expected paramagnetic momenta of magnetically dilute Cu<jats:sup>2+</jats:sup> ions. Electrons on the organic radicals are strongly paired in all compounds.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"79 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141575849","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Magnetic properties of the solid solutions CePt1−x Au x Al (x = 0.1–0.9)","authors":"Konstantin Renner, Fabian Eustermann, Oliver Niehaus, Oliver Janka","doi":"10.1515/znb-2024-0040","DOIUrl":"https://doi.org/10.1515/znb-2024-0040","url":null,"abstract":"Members of the solid solutions CePt<jats:sub>1–<jats:italic>x</jats:italic> </jats:sub>Au<jats:sub> <jats:italic>x</jats:italic> </jats:sub>Al have been synthesized from the elements and pure samples could be obtained for the whole range of <jats:italic>x</jats:italic> from 0.1–0.9. Powder X-ray diffraction patterns indicated the TiNiSi-type structure (orthorhombic, space group <jats:italic>Pnma</jats:italic>) for the whole series, consistent with the end members CePtAl and CeAuAl. The lattice parameters and therefore also the unit cell volumes evolve in a linear fashion when going from CePtAl to CeAuAl. Magnetic susceptibility and magnetization investigations were performed for the compounds with <jats:italic>x</jats:italic> = 0.1, 0.2, 0.3, 0.5, 0.7 and 0.9. The results show that the ferromagnetic ground state of CePtAl gets destabilized for small degrees of substitution (<jats:italic>x</jats:italic> = 0.1) resulting in a lower Curie temperature. For larger values of <jats:italic>x</jats:italic>, changes towards an antiferromagnetic ground state are observed, in line with pure CeAuAl.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"27 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141514690","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Gadolinium spin dilution in the ferromagnetic solid solutions Gd2–x Y x Cu2Mg","authors":"Maximilian Kai Reimann, Wilma Pröbsting, Theresa Block, Rainer Pöttgen","doi":"10.1515/znb-2024-0029","DOIUrl":"https://doi.org/10.1515/znb-2024-0029","url":null,"abstract":"Samples of the solid solution Gd<jats:sub>2–<jats:italic>x</jats:italic> </jats:sub>Y<jats:sub> <jats:italic>x</jats:italic> </jats:sub>Cu<jats:sub>2</jats:sub>Mg (in steps of <jats:italic>x</jats:italic> = 0.2) were synthesized from the elements in sealed tantalum ampoules in a high-frequency furnace. The polycrystalline samples were characterized by X-ray powder diffraction. The structure of Gd<jats:sub>0.988(6)</jats:sub>Y<jats:sub>1.012(6)</jats:sub>Cu<jats:sub>2</jats:sub>Mg was refined from single-crystal X-ray diffractometer data: Mo<jats:sub>2</jats:sub>B<jats:sub>2</jats:sub>Fe type, <jats:italic>P</jats:italic>4/<jats:italic>mbm</jats:italic>, <jats:italic>a</jats:italic> = 762.83(4), <jats:italic>c</jats:italic> = 375.48(2) pm, w<jats:italic>R</jats:italic>2 = 0.0277, 285 <jats:italic>F</jats:italic> <jats:sup>2</jats:sup> values and 13 variables. Single-crystal data gave no hint for Gd/Y ordering. All samples behave like Curie-Weiss paramagnets with stable trivalent gadolinium and ferromagnetic ordering at low temperature. Within the solid solution the Curie temperature drops almost linearly from <jats:italic>T</jats:italic> <jats:sub>C</jats:sub> = 113.5(1) K for Gd<jats:sub>2</jats:sub>Cu<jats:sub>2</jats:sub>Mg to 9.3(1) K for Gd<jats:sub>0.2</jats:sub>Y<jats:sub>1.8</jats:sub>Cu<jats:sub>2</jats:sub>Mg, allowing a precise adjustment of the magnetic ordering temperature through gadolinium spin dilution.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"36 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141530727","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"On the interaction of Lewis acids on pyrroles and indoles","authors":"Horst Hartmann, Jens Schönewerk","doi":"10.1515/znb-2024-0003","DOIUrl":"https://doi.org/10.1515/znb-2024-0003","url":null,"abstract":"Although the ability of Lewis acids to initiate oligomerisation or polymerisation of pyrroles and indoles is known, no reliable information was available on the structures of the complexes formed therewith. Using <jats:sup>1</jats:sup>H NMR spectroscopy, an attempt has now been made to elucidate the structures of the complexes formed by the treatment of pyrroles and indoles with AlCl<jats:sub>3</jats:sub>.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141505315","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The isotypic series of tetragonal lanthanoid(III) fluoride oxoarsenates(III) Ln 5F3[AsO3]4 (Ln = Eu–Lu)","authors":"Ralf J. C. Locke, Florian Ledderboge, Felix C. Goerigk, Frank C. Zimmer, Thomas Schleid","doi":"10.1515/znb-2024-0030","DOIUrl":"https://doi.org/10.1515/znb-2024-0030","url":null,"abstract":"The new fluoride-containing lanthanoid(III) oxoarsenates(III) with the composition <jats:italic>Ln</jats:italic> <jats:sub>5</jats:sub>F<jats:sub>3</jats:sub>[AsO<jats:sub>3</jats:sub>]<jats:sub>4</jats:sub> (<jats:italic>Ln</jats:italic> = Eu–Lu) could be obtained through partial metallothermic reduction from mixtures of the corresponding trifluorides (<jats:italic>Ln</jats:italic>F<jats:sub>3</jats:sub>) and the metals (<jats:italic>Ln</jats:italic>) with As<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> upon heating in fused silica ampoules. They all crystallize tetragonally in the space group <jats:italic>P</jats:italic>4/<jats:italic>ncc</jats:italic> with lattice parameters ranging from <jats:italic>a</jats:italic> = 1164.71(8) pm and <jats:italic>c</jats:italic> = 1097.95(7) pm for Eu<jats:sub>5</jats:sub>F<jats:sub>3</jats:sub>[AsO<jats:sub>4</jats:sub>]<jats:sub>4</jats:sub> down to <jats:italic>a</jats:italic> = 1125.72(8) pm and <jats:italic>c</jats:italic> = 1061.16(7) pm for Lu<jats:sub>5</jats:sub>F<jats:sub>3</jats:sub>[AsO<jats:sub>3</jats:sub>]<jats:sub>4</jats:sub> for <jats:italic>Z</jats:italic> = 4 as consequence of the lanthanoid contraction. The crystal structure exhibits three positions for the trications occupied by one As<jats:sup>3+</jats:sup> and two <jats:italic>Ln</jats:italic> <jats:sup>3+</jats:sup> species. The lanthanoids occur with two different coordination polyhedra consisting of a fluoride-capped oxygen cube [(<jats:italic>Ln</jats:italic>1)O<jats:sub>8</jats:sub>F]<jats:sup>14−</jats:sup> and a bicapped trigonal prism [(<jats:italic>Ln</jats:italic>2)O<jats:sub>6</jats:sub>F<jats:sub>2</jats:sub>]<jats:sup>11−</jats:sup> of F<jats:sup>−</jats:sup> and O<jats:sup>2−</jats:sup> anions. A surprisingly diverse <jats:italic>Ln</jats:italic> <jats:sup>3+</jats:sup> cation coordination for the F<jats:sup>−</jats:sup> anions is noteworthy, as (F1)<jats:sup>−</jats:sup> has contact to five, but (F2)<jats:sup>−</jats:sup> to only two of them. The crystallographically unique As<jats:sup>3+</jats:sup> cation is coordinated in a discrete <jats:italic>ψ</jats:italic> <jats:sup>1</jats:sup>-tetrahedron [AsO<jats:sub>3</jats:sub>]<jats:sup>3−</jats:sup> by three oxygen atoms. The lone-pairs of electrons at the As<jats:sup>3+</jats:sup> centers point into empty channels along [001], flanked by four columns of condensed [(<jats:italic>Ln</jats:italic>1)O<jats:sub>8</jats:sub>F]<jats:sup>14−</jats:sup> polyhedra. As rather short oxygen-fluorine distances are present within this structural feature, the absence of (OH)<jats:sup>−</jats:sup> units apt to replace F<jats:sup>−</jats:sup> needed to be verified by single-crystal Raman spectroscopy. The composition <jats:italic>Ln</jats:italic> <jats:sub>5</jats:sub>F<jats:sub>3</jats:sub>[AsO<jats:sub>3</jats:sub>] was also confirmed by electron-beam microprobe (EDXS) measurements and the phase purity of selected samples could be proven by powder X-ray diffractometry (PXRD).","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"26 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141505316","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The crystal structures of the ternary intermetallics RE 2Pd2Cd (RE = Nd, Sm, Gd, Dy) and RE 2Ga2Mg (RE = Tb, Er, Tm, Lu) at 90 K","authors":"Maximilian Kai Reimann, Jutta Kösters, Tautvydas Bieliauskas, Rainer Pöttgen","doi":"10.1515/znb-2024-0014","DOIUrl":"https://doi.org/10.1515/znb-2024-0014","url":null,"abstract":"The crystal structures of the U<jats:sub>3</jats:sub>Si<jats:sub>2</jats:sub>-related intermetallic compounds <jats:italic>RE</jats:italic> <jats:sub>2</jats:sub>Pd<jats:sub>2</jats:sub>Cd (<jats:italic>RE</jats:italic> = Nd, Sm, Gd, Dy) and <jats:italic>RE</jats:italic> <jats:sub>2</jats:sub>Ga<jats:sub>2</jats:sub>Mg (<jats:italic>RE</jats:italic> = Tb, Er, Tm, Lu) were studied from single crystal X-ray diffraction data at <jats:italic>T</jats:italic> = 90 K in order to understand the slightly enhanced <jats:italic>U</jats:italic> <jats:sub>33</jats:sub> displacements of the 2<jats:italic>a</jats:italic> positions in their room temperature structures. The compounds Sm<jats:sub>2</jats:sub>Pd<jats:sub>2</jats:sub>Cd, Gd<jats:sub>2</jats:sub>Pd<jats:sub>2</jats:sub>Cd and Dy<jats:sub>2</jats:sub>Pd<jats:sub>2</jats:sub>Cd show a decrease of the ratio of <jats:italic>U</jats:italic> <jats:sub>33</jats:sub> to <jats:italic>U</jats:italic> <jats:sub>11</jats:sub> for the cadmium atoms, leading to a more isotropic behavior at low temperature, keeping the <jats:italic>P</jats:italic>4/<jats:italic>mbm</jats:italic> space group symmetry. Nd<jats:sub>2</jats:sub>Pd<jats:sub>2</jats:sub>Cd shows a <jats:italic>translationengleiche</jats:italic> symmetry reduction to space group <jats:italic>P</jats:italic>4<jats:italic>bm</jats:italic> along with a weak puckering effect with shorter (342.7 pm) and longer (345.7 pm) Cd–Nd distances within the Cd@Nd<jats:sub>8</jats:sub> square prisms. This new, non-centrosymmetric superstructure variant was also observed for the magnesium compounds Tb<jats:sub>2</jats:sub>Ga<jats:sub>2.069</jats:sub>Mg<jats:sub>0.931</jats:sub>, Er<jats:sub>2</jats:sub>Ga<jats:sub>2.104</jats:sub>Mg<jats:sub>0.896</jats:sub>, Tm<jats:sub>2</jats:sub>Ga<jats:sub>2.097</jats:sub>Mg<jats:sub>0.903</jats:sub> and Lu<jats:sub>2</jats:sub>Ga<jats:sub>2.173</jats:sub>Mg<jats:sub>0.827</jats:sub>, which show small degrees of Mg/Ga mixing.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"104 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141514691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Hydrothermal syntheses, structures and properties of two zinc complexes based on an azobenzene carboxylate ligand","authors":"Mou-Yi Zhang, Lei Guan","doi":"10.1515/znb-2023-0114","DOIUrl":"https://doi.org/10.1515/znb-2023-0114","url":null,"abstract":"Two zinc complexes [Zn(<jats:italic>L</jats:italic>H)<jats:sub>2</jats:sub>(phen)] (1) and [Zn(<jats:italic>L</jats:italic>)(H<jats:sub>2</jats:sub>O)]<jats:sub> <jats:italic>n</jats:italic> </jats:sub> (2) (<jats:italic>L</jats:italic>H<jats:sup>−</jats:sup> = 2-hydroxy-5-((3-nitrophenyl)azo)-benzoate, phen = 1,10-phenanthroline) were synthesized by hydrothermal methods and characterized by elemental analysis and IR spectroscopy. Complexes 1 and 2 crystallize in mononuclear and polymeric structures, respectively, where ligands <jats:italic>L</jats:italic> <jats:sup>2−</jats:sup> are coordinated to the zinc ions via their carboxylate and phenolate groups in <jats:italic>η</jats:italic> <jats:sup>2</jats:sup>,<jats:italic>μ</jats:italic> <jats:sub>2</jats:sub>,<jats:italic>κ</jats:italic> <jats:sup>2</jats:sup> and <jats:italic>η</jats:italic> <jats:sup>2</jats:sup>,<jats:italic>μ</jats:italic> <jats:sub>2</jats:sub>,<jats:italic>κ</jats:italic> <jats:sup>1</jats:sup> mode, respectively. Introduction of the auxiliary chelating phen ligand results in the chelation of the zinc ions in 1 through both the phen ligand and the carboxylate group of the first <jats:italic>L</jats:italic>H<jats:sup>−</jats:sup> anion assisted further by the monodentate carboxylate group of the second <jats:italic>L</jats:italic>H<jats:sup>−</jats:sup> anion. In complex 2 the <jats:italic>L</jats:italic> <jats:sup>2−</jats:sup> anions act as tridentate ligands utilizing their carboxylate and phenolate groups to coordinate to three zinc ions. The phenolate oxygen atom bridges two zinc ions resulting in the generation of a layer structure. Fluorescence measurements have indicated that complexes 1 and 2 exhibit similar luminescence emissions around 393 and 387 nm, respectively, which originate from intra-ligand π-π<jats:sup>*</jats:sup> transitions. The emission intensities were strengthened relative to the sodium complex Na<jats:italic>L</jats:italic>H owing to the enhancement of the rigidity of the aromatic system through the coordination interactions of the ligands with the more tightly bound zinc ions. Furthermore, the suspension of complex 2 can be used to selectively detect Fe<jats:sup>3+</jats:sup> cations via the luminescence quenching process.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"40 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141505317","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bi- and tridentate phosphanegold(I) chloride units linked by organosilane backbones","authors":"Peter Heinrichs, Beate Neumann, Hans-Georg Stammler, Norbert W. Mitzel","doi":"10.1515/znb-2024-0026","DOIUrl":"https://doi.org/10.1515/znb-2024-0026","url":null,"abstract":"The tridentate ligand tris(dimethylphosphanyl-methyl)phenylsilane was prepared by the reaction of phenyltrichlorosilane with three equivalents of dimethylphosphanylmethyl lithium. This ligand and the bifunctional bis(dimethylphosphanylmethyl)dimethylsilane were converted into their corresponding gold(I) chloride complexes with three and two AuCl functions, respectively. The complexes were investigated for their ability to form intra- or intermolecular aurophilic interactions.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"166 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141505318","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mechanochemical synthesis and structural characterization of the I2-II-IV-VI4 quaternary chalcogenide Ag2CdGeSe4","authors":"Kevin D. Profita, Thomas Bredow, Eva M. Heppke","doi":"10.1515/znb-2023-0113","DOIUrl":"https://doi.org/10.1515/znb-2023-0113","url":null,"abstract":"Ag<jats:sub>2</jats:sub>CdGeSe<jats:sub>4</jats:sub> – a I<jats:sub>2</jats:sub>-II-IV-VI<jats:sub>4</jats:sub> quaternary chalcogenide – was synthesized by a mechanochemical synthesis route with a subsequent annealing step inside of a glass ampoule. Detailed analysis and structural investigation using X-ray powder diffraction (PXRD) indicate that Ag<jats:sub>2</jats:sub>CdGeSe<jats:sub>4</jats:sub> crystallizes in the wurtzstannite-type structure with space group <jats:italic>Pmn</jats:italic>2<jats:sub>1</jats:sub>. For Rietveld refinements, all cubic diamond/sphalerite- and hexagonal diamond/wurtzite-related structure types including all subgroups of the wurtzstannite-type structure were considered. Quantum-chemical calculations were carried out at density-functional theory (DFT) level. The results do not allow an unambiguous verification of the experimentally observed Ag<jats:sub>2</jats:sub>CdGeSe<jats:sub>4</jats:sub> type, due to the small energy differences between the structures. Comparison of calculated and measured UV/Vis data, however, support the results of the Rietveld refinement.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"17 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140830013","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-pressure/high-temperature synthesis, single-crystal structure analysis, and spectroscopic data of γ-Eu(BO2)3 and γ-Gd(BO2)3","authors":"Tobias A. Teichtmeister, Alexander Hugo Bernhart, Hubert Huppertz","doi":"10.1515/znb-2024-0013","DOIUrl":"https://doi.org/10.1515/znb-2024-0013","url":null,"abstract":"Orthorhombic crystals of the compounds <jats:italic>γ</jats:italic>-Eu(BO<jats:sub>2</jats:sub>)<jats:sub>3</jats:sub> and <jats:italic>γ</jats:italic>-Gd(BO<jats:sub>2</jats:sub>)<jats:sub>3</jats:sub> were obtained by high-pressure/high-temperature syntheses at 10.5 GPa and 1100 and 900 °C, respectively. The structures were solved by single-crystal X-ray diffraction methods. The two compounds crystallize with four formula units per cell in the space group <jats:italic>Pca</jats:italic>2<jats:sub>1</jats:sub> (no. 29) with the unit cell parameters <jats:italic>a</jats:italic> = 18.2729(7), <jats:italic>b</jats:italic> = 4.4076(2), <jats:italic>c</jats:italic> = 4.2505(1) Å (<jats:italic>Ln</jats:italic> = Eu), and <jats:italic>a</jats:italic> = 18.2591(6), <jats:italic>b</jats:italic> = 4.4055(1), <jats:italic>c</jats:italic> = 4.2477(1) Å (<jats:italic>Ln</jats:italic> = Gd). Their infrared spectra and the luminescence spectrum of <jats:italic>γ</jats:italic>-Eu(BO<jats:sub>2</jats:sub>)<jats:sub>3</jats:sub> are discussed.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"266 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140625824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}