bluuebunny/crossref_metadata_2025_split huggingface dataset:
Die Synthese von cis‐ und trans‐[Fe(CN)2(CNtBu)4] in einer Eintopfreaktion aus Fe2(CO)9 und tert. Butylisocyanid
Authors: Halbauer Kathi , Dönnecke Daniel , Görls Helmar , Imhof Wolfgang 
Published: June 2006

AbstractSynthesis of cis‐ and trans‐[Fe(CN)2(CNtBu)4] in a One‐Pot Procedure from Fe2(CO)9 and tert. ButylisocyanideThe reaction of Fe2(CO)9 with tert. butyl isocyanide in the presence of 10 bar of carbon monoxide leads to the formation of the mononuclear trigonal bipyramidal compound [Fe(CO)3(CNtBu)2] with two axially coordinated isocyanide ligands. If the same reaction is carried out without additional carbon monoxide being present in the solution, a 1:1 mixture of the isomeric octahedral complexes cis‐ and trans‐[Fe(CN)2(CNtBu)4] is produced via a complex redox reaction involving the reductive cleavage of isocyanide ligands. The molecular structures of the product compounds is going to be discusssed. The crystal structures of cis‐ and trans‐[Fe(CN)2(CNtBu)4] are mainly determined by the ability of the cyano ligands to act as hydrogen bond acceptor sites.
Novel Coordination Complexes in the Bismuth(III)/Oxinate System
Authors: Campi Eva M. , Deacon Glen B. , Jackson W. Roy , Skelton Brian W. , Smith Katherine A. , White Allan H. 
Published: June 2006

AbstractSingle crystal structural characterizations are reported for a pair of bismuth(III)/oxinate ('ox') complexes, formulated as [Bi(ox)3(OH2)]2 and [BiPh(ox)2(O‐dmso)]2 respectively. In the former, analytically significant, species the Bi(ox)3 coordination sphere is augmented by dimerization by way of bridging interactions through two of the ox oxygen donor atoms and a residue modelled as a coordinated water molecule oxygen atom. In the dmso complex, a novel pentagonal pyramidal coordination environment (Ph at the apex) is described, presumably consequent on the effect of close η6‐interactions of the bismuth with the carbocyclic ring of one of the ox ligands of an adjacent, inversion‐related molecule.
Synthesis and Characterization of Novel Carbacylamidophosphate Derivatives: Crystal Structures of (p‐Cl‐C6H4)C(O)NHP(O)(NC5H10)2 and (p‐Br‐C6H4)C(O)NHP(O)(NC5H10)2
Authors: Gholivand Khodayar , Mojahed Fresia , Alizadehgan Ahlam Madani , Bijanzadeh Hamid Reza 
Published: June 2006

AbstractUsing phosphorus pentachloride as a substrate, carbacylamidophosphates of the general formula (p‐X‐C6H4) C(O)NHP(O)(R)2; (X=Cl and R=Cl, 2a; X=Br and R=Cl, 3a; X=Me and R=Cl, 4a; X=Cl and R=piperidine, 2b; X=Br and R=piperidine, 3b; X=Me and R=piperidine, 4b; X=H and R=cyclohexylamine, 1c; X=Cl and R=cyclohexylamine, 2c; X=Br and R=cyclohexylamine, 3c; X=Me and R=cyclohexylamine, 4c; X=H and R=p‐Me‐cyclohexylamine, was prepared and characterized by 1H, 31P and 13C NMR and IR spectroscopy and elemental analysis. Different group attached on phosphorus nuclei affect on IR and NMR spectra. Three‐bond coupling constants between phosphorus and carbon nucleus, 3J(P,Caliphatic) in the 1b–4b and 1c–4c containing piperidine or cyclohexylamine groups, were greather than two‐bond coupling constants, 2J(P,Caliphatic). The structures of 2b and 3b were determined by single‐crystal X‐ray diffraction techniques. The both molecule crystals are composed of a centrosymmetric dimer via N‐H···O bonds. 3b exists as two independent molecules in crystal lattice.
Zur Elektronenstruktur hochsymmetrischer Verbindungen der f‐Elemente. 40. Parametrische Analyse des Kristallfeld‐Aufspaltungsmusters von Tris(hydrotris(1‐pyrazolyl)borato)neodym(III)
Authors: Reddmann Hauke , Apostolidis Christos , Walter Olaf , Amberger Hanns‐Dieter 
Published: June 2006

AbstractElectronic Structures of Highly Symmetrical Compounds of f Elements. 40. Parametric Analysis of the Crystal Field Splitting Pattern of Tris(hydrotris(1‐pyrazolyl)borato)neodymium(III)The absorption spectrum of tris(hydrotris(1‐pyrazolyl)borato)neodymium(III) (NdTp3) was run at room and low temperatures. From the spectra obtained, a truncated crystal field (CF) splitting pattern could be derived, and simulated by fitting the free parameters of a phenomenological Hamiltonian achieving an r.m.s. deviation of 11.0 cm−1 for 48 assignments. The parameters used allow the estimation of the ligand field strength experienced by the Nd3+ central ion, the insertion of the Tp ligand into empirical nephelauxetic and relativistic nephelauxetic series, and the set‐up of experimentally based nonrelativistic molecular orbital schemes in the f range.
Single‐Crystal X‐ray Diffraction and Electron Microprobe Analysis of the Structurally related J‐Phases Nd4[Si2O5N2]O2, Nd4[Si2−xAlxO5+xN2−x]O2 with x ≈ 0.4 and SrxHo4−x[Si2−yAlyO5+(x+y)N2−(x+y)]O2 with x ≈ 0.2 and y ≈ 0.4
Authors: Lieb Alexandra , Kraut Robert , Schnick Wolfgang 
Published: June 2006

AbstractThe oxonitridosilicate Nd4[Si2O5N2]O2, and the oxonitridoaluminosilicates Nd4[Si2−xAlxO5+xN2−x]O2 with x ≈ 0.4 and SrxHo4−x[Si2−yAlyO5+(x+y)N2−(x+y)]O2 with x ≈ 0.2 and y ≈ 0.4 were obtained by the reaction of the lanthanide metals, silicon diimide “Si(NH)2” and additional SiO2, AlN and SrCO3, respectively. The reactions were performed in a radio‐frequency furnace at temperatures between 1800 and 2100 °C. The crystal structures of the three compounds were determined by single‐crystal X‐ray diffraction (P21/c, no. 14, Z = 4; Nd4[Si2O5N2]O2: a = 7.8577(8) Å, b = 10.7793(12) Å, c = 11.0163(12) Å, β = 110.759(11)°, R1 = 0.0752; Nd4[Si2−xAlxO5+xN2−x]O2: a = 7.842(2) Å, b = 10.710(2) Å, c = 11.074(2) Å, β = 110.32(3)°, R1 = 0.1078; SrxHo4−x[Si2−yAlyO5+(x+y)N2−(x+y)]O2: a = 7.5704(5) Å, b = 10.4744(8) Å, c = 10.8502(11) Å, β = 109.856(7)°, R1 = 0.0825). The compound SrxHo4−x[Si2−yAlyO5+(x+y)N2−(x+y)]O2 crystallizes isotypically with the mineral cuspidine (Ca4[Si2O7]F2), the neodymium compounds crystallize in a cuspidine‐related structure type. The structure refinements were performed utilizing an O/N distribution model according to Paulings rules and according to powder neutron diffraction data obtained from La4Si2O7N2 and Lu4Si2O7N2 by Takahashi et al., i.e. nitrogen was positioned on the bridging site, mixed O/N‐occupation was assumed on the terminal sites and oxygen was positioned on the isolated site resulting in charge neutrality of the compounds. The Si and Al atoms were refined equally mixed on the two possible positions. The structures consist of bitetrahedral units [(Si,Al)2(O,N)7], lanthanide and alkaline earth cations and isolated oxygen anions. The chemical compositions of all three compounds were determined by electron probe micro analyses (EPMA).
Eine neue Verzerrungsvariante des CaBe2Ge2‐Typs – Die Kristallstrukturen von SrPd2Bi2, BaPd2Bi2 und BaAu2Sb2
Authors: Frik Lars , Johrendt Dirk , Mewis Albrecht 
Published: June 2006

AbstractA New Distorted Variant of the CaBe2Ge2 Type – Crystal Structures of SrPd2Bi2, BaPd2Bi2, and BaAu2Sb2SrPd2Bi2 (a = 4.886(1), b = 4.778(1), c = 10.679(1) Å, β = 91.80(1)°), BaPd2Bi2 (a = 4.919(1), b = 4.854(1), c = 10.783(1) Å, β = 91.30(1)°), and BaAu2Sb2 (a = 4.899(2), b = 4.783(2), c = 11.102(5) Å, β = 91.16(3)°) crystallize in a new monoclinic variant (P21/m; Z = 2) of the tetragonal CaBe2Ge2 type of structure. The distortion can be described as a rotation of the coordination polyhedra around the alkaline earth metal atoms. Investigations of SrPd2Bi2 at high temperatures by X‐ray methods indicate a phase transition in the range of 150°‐300 °C resulting in tetragonal symmetry. It is most likely that the high temperature form of SrPd2Bi2 crystallizes with the undistorted CaBe2Ge2 type of structure (P4/nmm). The compounds were prepared by heating mixtures of the elements at 900°‐1100 °C.
Synthesis and Structure of a Two‐dimensional Vanadium Tellurite, [H2en][VTeO5]2
Authors: Jung Kyungna , Kim Hyejin , Yun Hoseop , Do Junghwan 
Published: June 2006

Abstract[H2en][VTeO5]2 (en = ethylenediamine) was synthesized by a hydrothermal reaction and structurally charac terized. The structure of [H2en][VTeO5]2 consists of an infinite [VTeO5]− layer, which contains VO4 tetrahedral and TeO5 square pyramidal units. Two square pyramidal TeO5 units are connected by sharing an edge to form a Te2O8 binuclear unit. The interlayer space is filled by diprotonated ethylenediammonium cations that link the layers through a network of hydrogen bonds.
[Sn6Se10Br6]2− – Ein Zinnselenidcluster mit trigonal prismatischer Struktur
Authors: Schmidtke Markus , Krautscheid Harald 
Published: June 2006

Abstract[Sn6Se10Br6]2− – A Selenidostannate Cluster with Trigonal Prismatic StructureThe bromido‐selenido stannate (Et4N)2[Sn6Se10Br6] (1) is obtained by reaction of SnBr4 with Na2Se and (Et4N)PF6 and is one of the rare examples of polynuclear tin chalcogenide complexes. The D3h‐symmetric anion in 1 contains a trigonal prismatic arrangement of six SnIV atoms. Compound 1 crystallizes in space group P21/n with a = 1408.26(8), b = 1419.04(7), c = 2427.7(2) pm, β = 92.809(8)°, V = 4845.6(5) · 106 pm3, Z = 4.
Alkali Metal Carbonates at High Pressure
Authors: Čančarevič Ž , Schön J. C. , Jansen M. 
Published: June 2006

AbstractThe possible existence of crystalline alkali metal carbonates as high‐pressure modifications in the system M2CO3, where M = Li, Na, K, Rb, and Cs are investigated. The results agree well with the experimental observations at standard pressure, and several new modifications are proposed that should be thermodynamically stable at high and effective negative pressures.
Synthesis of Fluoride Nanoparticles in Non‐Aqueous Nanoreactors. Luminescence Study of Eu3+:CaF2
Authors: Labéguerie Jessica , Gredin Patrick , Mortier Michel , Patriarche Gilles , de Kozak Ariel 
Published: June 2006

AbstractMonodispersed CaF2 and Eu3+:CaF2 nanoparticles were synthesized through an original non‐aqueous route involving isopropanol nanoreactors dispersed in a polystyrene / THF solution. Transmission electron microscopy revealed a mean diameter of 15 nm with a small standard deviation of 5 nm, for both, undoped and doped nanoparticles. CaF2 particles exhibit a cubic morphology, while Eu3+:CaF2 particles are rather spherical. Luminescence experiments carried on Ca1−xEuxF2+x (x = 0.1) at room temperature, revealed that europium cations are only located in one type of site in the CaF2 structure, with an environment rather constituted by F− anions than by OH− or O2−, showing the absence of these later in the synthesized nanoparticles. These measurements highlighted also a long mean life‐time for the 5D0 state of trivalent europium (5.6 ms), compared to the ones observed in literature (around 3 ms). By an adequate choice of reagents, this waterless method of preparation could be adapted allowing the synthesis of other water sensitive compounds than fluorides.
119Sn Mössbauer Spectroscopy and Chemical Bonding in AuTSn2 (T = Ni, Cu, Pd)
Authors: Lange Stefan , Schappacher Falko M. , Johrendt Dirk , Nilges Tom , Hoffmann Rolf‐Dieter , Pöttgen Rainer 
Published: June 2006

AbstractThe stannides AuTSn2 (T = Ni, Cu, Pd) were synthesized by reacting the elements in sealed silica ampoules at 1300 K and subsequent annealing sequences. The compounds were studied by X‐ray powder diffraction. The structure of the new stannide AuPdSn2 was refined from single crystal diffractometer data: P63/mmc, a = 415.8(2), c = 557.1(2) pm, wR2 = 0.0400, 88 F2 values, and 6 variable parameters. These ternary stannides derive from the NiAs structure. For AuPdSn2 only a disordered structure with a random distribution of gold and palladium on the nickel site was observed. AuNiSn2 and AuCuSn2, however, are ordered superstructures, space group $P{\bar 3}m{\rm 1}$. 119Sn Mössbauer spectra show single signals at isomer shifts of 2.00(1) (Ni), 2.10(1) (Pd), and 2.26(1) mm/s (Cu), indicating the highest s electron density at the tin nuclei of AuCuSn2. AuNiSn2, where the tin atoms show the strongest displacement from the subcell mirror plane reveals the largest quadrupole splitting of 0.60(1) mm/s. Chemical bonding in AuSn and AuNiSn2 was compared on the basis of TB–LMTO–ASA electronic structure calculations. The latter reveal strong Au–Ni and Ni–Sn bonding in the ordered structure of AuNiSn2.
Structural and Magnetic Properties of LiFePO4 and Lithium Extraction Effects
Authors: Ait‐Salah A. , Dodd J. , Mauger A. , Yazami R. , Gendron F. , Julien C. M. 
Published: June 2006

AbstractThe characterization of LiFePO4 and of materials synthesized by chemical delithiation of pure LiFePO4 using potassium peroxydisulfate is reported. X‐ray diffraction (XRD), Fourier transformed infrared spectroscopy (FTIR), Electron Paramagnetic Resonance (EPR) spectroscopy and magnetization measurements are analyzed for lithium concentrations x = 0, 0.5, and 1. XRD and EPR data show that the x = 0.5 sample is phase separated into 0.5LiFePO4 + 0.5FePO4, in agreement with prior experiments showing that the mixed‐valence LixFePO4 compound is unstable. The magnetic properties give evidence of a superparamagnetism associated to iron‐based ferromagnetic nanoparticles, superposed to the intrinsic magnetic contribution of the powder which undergoes an antiferromagnetic ordering at TN(x =1) = 50 K and TN(x = 0) = 125 K. The magnetic clustering (amount of iron in the ferromagnetic nanoparticles, mean size distribution) is independent of the lithium concentration. Both the ESR signal of the magnetic clusters and the magnetization curves give evidence of a magnetic interaction between the magnetic clusters and their environment which acts as a friction.
Organothalliumhalogenide
Authors: Kuzu Istemi , Neumüller Bernhard 
Published: June 2006

AbstractOrganothallium HalidesWhen TlCl3 was reacted with cHexMgCl in THF, the triorganothallane TlcHex3 (1) could be obtained. The reaction of TlCl3 with PhLi in Et2O solution at 0 °C gave after workup the insoluble colorless solid Ph2TlCl (2). 2 was refluxed in pyridine. During cooling of the hot suspension colorless small crystals of [Ph2Tl(Py)2Cl]n (3) were formed. TlMes3 and TlCl3 in the molar ration 2:1 reacted in toluene at 20 °C to give the salt (TlMes2)[MesTlCl3] (4). The treatment of TlBr with MesMgBr solution (molar ratio 2:1) in THF/toluene lead to a suspension of MesTlBr2 and Tl. The suspension was refluxed in pyridine. After cooling of the solution, colorless crystals of [MesTlBr2(Py)2]·Py (5) could be isolated. 1 and 3–5 were characterized by NMR and MS techniques and in the case of 3 by vibrational spectroscopy. In addition X‐ray structure determinations of 3 ‐ 5 were performed. According to this the structure of 3 can be understood in two ways: 3 consists of polymeric linear chains along [001] buildt‐up by square planar [TlPh4]− and [Tl(Py)4]3+ units connected by Cl− ions. This would mean a description as [{TlPh4Cl}{Tl(Py)4Cl}]n. The disorder phenomena in 3 would allow the second explanation, the formation of chains [Ph2Tl(Py)2Cl]n. The unit cell of 4 contains zig‐zag chains of four‐membered rings consisting of linear (TlMes2)+ units and distorted tetrahedrons of [MesTlCl3]− ions. All chloro ligands in 4 are μ‐bridging forming Tl2Cl2 four‐membered rings and Tl‐Cl‐Tl sequences. In 5, molecular units of [MesTlBr2(Py)2] are present. The thallium atoms possess a trigonal bipyramidal environment.
A Non–Metallic Ionic Saccharinate. Synthesis, Structure and DFT Calculations of Piperazinium Disaccharinate
Authors: Gumus Sedat , Guney Serkan , Yilmaz Veysel T. , Kazak Canan 
Published: June 2006

AbstractA new ionic saccharinate (sac) compound with the piperazinium dication (H2ppz)(sac)2 (1), has been synthesized and characterized by elemental analysis, IR spectroscopy, and single crystal X‐ray diffraction. The compound crystallizes in the monoclinic space group P21/c and consists of the (sac)− monoanion and (H2ppz)2+ dication. In addition to the ionic interactions, the ions are linked by strong N–H···O hydrogen bonds involving the NH hydrogen atoms of (H2ppz)2+ and the sulfonyl O atoms of (sac)−. The intermolecular interactions are further reinforced by weak aromatic π(sac)···π(sac) stacking interactions, giving rise to a three‐dimensional network. Molecular structure and vibrational frequencies of 1 have also been investigated by density functional theory (DFT) calculations using GAUSSIAN 03. Calculated frequencies are in good agreement with the corresponding experimental data.
Zur Frage der Tautomerie von Cyamelursäure im Kristall
Authors: Sattler Andreas , Schnick Wolfgang 
Published: June 2006

AbstractOn the Question of the Tautomerism of Cyameluric Acid in the CrystalCyameluric acid was synthesized starting from melamine via melone and sodium cyamelurate. Cyameluric acid crystallizes from diluted aqueous hydrochloric acid, forming a trihydrate H3(C6N7)O3 · 3H2O. The crystal‐structure was solved by single‐crystal X‐ray diffraction (Cc (no. 9), Z = 16, a = 1552.21(2), b = 2010.89(3), c = 1385.33(2) pm, β = 102.1066(8)°, V = 4227.89(10), 9224 data, 818 parameters, R1 = 0.058). There has been some unresolved discussion in the literature which of the possible tautomeric forms of cyameluric acid is preferred in the solid state. Our structural investigation provides proof that the keto‐tautomere is favored in the crystal. The IR‐, Raman and solid‐state NMR‐spectroscopic properties of cyameluric acid trihydrate were studied. The thermal behavior of the title compound was investigated.
Relativistic brachistochrones under electric or gravitational uniform fields
Authors: Mingari Scarpello G. , Ritelli D. 
Published: June 2006

AbstractThis paper analyzes the planar frictionless brachistochronic motion of a punctual charge moving in vacuo under the sole effect of a uniform electrostatic field accelerating it to relativistic speeds. Following the double assumption of minimizing the absolute (newtonian) and the local (relativistic) time, different fastest trajectory families are calculated in closed form, sometimes through the I and II kind elliptic integrals. The problem is furthermore treated and solved replacing the electrostatic field with the gravitational one.
Subclinical course of adult visceral Niemann–Pick type C1 disease. A rare or underdiagnosed disorder?
Authors: Dvorakova L. , Sikora J. , Hrebicek M. , Hulkova H. , Bouckova M. , Stolnaja L. , Elleder M. 
Published: June 2006

SummaryWe present the third case of Niemann–Pick disease type C without neurological symptoms. The patient was a 53‐year‐old woman without significant prior health problems who died of acute pulmonary embolism. Autopsy findings of hepatosplenomegaly, lymphadenopathy and ceroid‐rich foam cells raised the suspicion of the visceral form of acid sphingomyelinase deficiency (Niemann–Pick disease type B; NPB) or a much rarer disorder, variant adult visceral form of Niemann–Pick disease type C (NPC). To verify the histopathological findings, SMPD1, NPC1 and NPC2 genes were analysed. Two novel sequence variants, c.1997G>A (S666N) and c.2882A>G (N961S) were detected in the NPC1 gene. No pathogenic sequence variants were found either in the SMPD1 gene mutated in NPB or in NPC2 gene. The pathogenicity of both NPC1 variants was supported by their location in regions important for the protein function. Both variations were not found in more than 300 control alleles. Identified sequence variations confirm the diagnosis of the extremely rare adult visceral form of Niemann–Pick disease type C, which is otherwise dominated by neurovisceral symptoms. Although only three patients have been reported, this (most probably underdiagnosed) form of NPC should be considered in differential diagnosis of isolated hepatosplenomegaly with foam cells in adulthood.
Sour Grapes: Relative Deprivation, Adaptive Preferences and the Measurement of Poverty
Authors: HALLERÖD BJÖRN 
Published: June 2006

One frequently used direct measure of deprivation and poverty is the objective relative deprivation index (O-RDindex), developed by Mack and Lansley (1985). One assumption underlying the O-RDindex is that respondents can distinguish between what that they cannot afford and what they do not want. This assumption contradicts the subjective usage of the concept relative deprivation (S-RD), which suggests a connection between economic circumstances, choice of reference group and consumption preferences.The present analysis supports the S-RD assumptions. People with limited access to economic resources are more likely to say they ‘do not want’ various consumable items. The results indicate a subjective bias that leads to underestimation of the incidence of O-RD among those suffering from the greatest economic hardship. However, it is also concluded that asking people to differentiate between choice and economic constraint improves our measurement of O-RD and decreases the risk that relatively well-off individuals will score high on the O-RDindex due to peculiar prioritising of consumption. Yet it is still the case that the social mechanisms related to S-RD most probably lead to underestimation of O-RD.
Activation of lumbosacral 5‐HT2Creceptors induces bursts of rhythmic activity in sympathetic nerves to the vas deferens in male rats
Authors: Stafford Stuart A , Tang Kim , Coote John H 
Published: June 2006

We previously demonstrated thatp‐chloroamphetamine (PCA) intravenously (i.v.) evokes a specific patterned bursting response in the vas deferens nerve (VDN) of anaesthetised male rats that is associated with contraction of the vas deferens, and ejaculation and contraction of the bulbospongiosus muscles. The present study used selective 5‐HT agonists to induce similar rhythmic bursting responses in the VDN in order to reveal the 5‐HT receptor subtypes involved.The 5‐HT2Creceptor agonist (1.0 mg kg−1Ro600175 i.v.) evoked the characteristic bursting pattern responses in the VDN. The 5‐HT1Areceptor agonist (1.0 mg kg−18‐OH‐DPAT i.v.) failed to elicit any responses. However, 8‐OH‐DPAT coadministered in combination with Ro600175 induced a potentiation of the responses.Responses were also evoked in rats with a mid‐thoracic spinalisation, with a more predictable response being observed following the combination of agonists. This suggests an action of both agonists in the lumbosacral spinal cord.Responses were blocked by 0.5 mg kg−1SB206553 i.v. (5‐HT2B/Creceptor antagonist) or 0.5 mg kg−1WAY100635 i.v. (5‐HT1Areceptor antagonist), but not 0.1 or 1.0 mg kg−1SB269970 i.v. (5‐HT7receptor antagonist).We suggest that activation of 5‐HT2Cand 5‐HT1Areceptor subtypes synergistically elicits contraction of the vas deferens through the activation of sympathetic preganglionic neurones in the spinal cord.These data support the idea of a proejaculatory action of 5‐HT2Creceptors in the lumbosacral spinal cord, suggesting a descending 5‐HT excitatory pathway in addition to a 5‐HT inhibitory pathway. An excitatory action of 8‐OH‐DPAT at lumbosacral sites is also evident.British Journal of Pharmacology(2006)148, 1083–1090. doi:10.1038/sj.bjp.0706814