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Characterization of Mo Species Supported on SiO2 Modified with Be2+ and Mg2+ Be2+和Mg2+改性SiO2负载Mo物质的表征
Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199700018
Phryni Aroni
{"title":"Characterization of Mo Species Supported on SiO2 Modified with Be2+ and Mg2+","authors":"Phryni Aroni","doi":"10.1002/bbpc.199700018","DOIUrl":"10.1002/bbpc.199700018","url":null,"abstract":"<p>Two series of modified carriers (m.c.) have been prepared by doping silica with various amounts of Be<sup>2+</sup> and Mg<sup>2+</sup>. The prepared m.c. have been used as supports for the preparation of supported Mo<sup>(VI)</sup> oxide catalysts. The magnitude of interactions between SiO<sub>2</sub> and Be<sup>2+</sup> or Mg<sup>2+</sup> nitrates depends on the kind and content of the cation. After calcination at 600°C a greater fraction of cations remains on the support surface as well dispersed M(NO<sub>2</sub>)<sub>2</sub> in the case of Mg<sup>2+</sup> m.c. Concerning the Mo containing samples it was found that doping by Be<sup>2+</sup> and Mg<sup>2+</sup> causes a solid state transformation of octahedral Mo<sup>(VI)</sup> to tetrahedral Mo<sup>(VI)</sup>. As before, the extent of the effect differs between Be<sup>2+</sup> and Mg<sup>2+</sup> and it varies with the content of cation. This effect has been attributed to the inhibition of the polymerization of monomeric Mo<sup>(VI)</sup> species and/or to the formation of molybdate salts.</p>","PeriodicalId":100156,"journal":{"name":"Berichte der Bunsengesellschaft für physikalische Chemie","volume":"101 10","pages":"1544-1548"},"PeriodicalIF":0.0,"publicationDate":"2014-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/bbpc.199700018","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"113508609","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}
引用次数: 0
Concentration-Dependent Electroacoustic Spectra of Some Simple Alkali-Halide Aqueous Electrolytes 一些简单碱卤化物水溶液的浓度依赖性电声谱
Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199700010
N. Tankovsky, K. Bärner
{"title":"Concentration-Dependent Electroacoustic Spectra of Some Simple Alkali-Halide Aqueous Electrolytes","authors":"N. Tankovsky,&nbsp;K. Bärner","doi":"10.1002/bbpc.199700010","DOIUrl":"10.1002/bbpc.199700010","url":null,"abstract":"<p>Excitation of acoustic waves in electrolytes by means of a.c. electric fields has been used to examine the structural and dynamical properties of the solutions. The acoustical signal efficiency depends on the electrolyte concentration and on the frequency of the exciting electric field. Experimental results, obtained in the aqueous solutions of LiCl, NaCl and KCl, are discussed. The influence of the electroacoustic-cell design on the obtained results is studied as well.</p>","PeriodicalId":100156,"journal":{"name":"Berichte der Bunsengesellschaft für physikalische Chemie","volume":"101 10","pages":"1480-1484"},"PeriodicalIF":0.0,"publicationDate":"2014-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/bbpc.199700010","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"101482329","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}
引用次数: 4
First Principles Calculations of Solute-Hole Interactions in the High Tc Oxyfluoride Superconductor Sr2CuO2F2 高温氟化氧超导体Sr2CuO2F2中溶质-空穴相互作用的第一线原理计算
Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199700033
W.C. Mackrodt, H.J. Gotsis, N.L. Allan
{"title":"First Principles Calculations of Solute-Hole Interactions in the High Tc Oxyfluoride Superconductor Sr2CuO2F2","authors":"W.C. Mackrodt,&nbsp;H.J. Gotsis,&nbsp;N.L. Allan","doi":"10.1002/bbpc.199700033","DOIUrl":"10.1002/bbpc.199700033","url":null,"abstract":"<p>First principles periodic Hartree-Fock calculations are reported of the electronic and magnetic structures and hole states in the T (La<sub>2</sub>CuO<sub>4</sub>) phases of Sr<sub>2</sub>CuO<sub>2</sub>F<sub>2</sub>, Sr<sub>2</sub>CuO<sub>2</sub>F<sub>2.5</sub> and NaSrCuO<sub>2</sub>F<sub>2</sub>. Sr<sub>2</sub>CuO<sub>2</sub>F<sub>2</sub> is predicted to be a highly ionic antiferromagnetic charge transfer insulator with Cu in a d<sup>9</sup> ((d<i><sub>x</sub><sup>2</sup><sub>–y</sub></i><sup>2</sup>)<sup>1</sup>) configuration. Holes are predicted to be highly localised spin polarons which destroy the AF ordering at concentrations of 0.5 per formula unit.</p>","PeriodicalId":100156,"journal":{"name":"Berichte der Bunsengesellschaft für physikalische Chemie","volume":"101 9","pages":"1242-1244"},"PeriodicalIF":0.0,"publicationDate":"2014-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/bbpc.199700033","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"96363840","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}
引用次数: 3
The Shape of Se-Precipitates in a CdSxSe1−x-Doped Glass CdSxSe1−x掺杂玻璃中se析出物的形状
Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199700020
Nikolai Gorski, Jürgen Kalus, Bernd Kunze, Thomas Bischof, Wolfgang Kiefer, Albrecht Wiedenmann
{"title":"The Shape of Se-Precipitates in a CdSxSe1−x-Doped Glass","authors":"Nikolai Gorski,&nbsp;Jürgen Kalus,&nbsp;Bernd Kunze,&nbsp;Thomas Bischof,&nbsp;Wolfgang Kiefer,&nbsp;Albrecht Wiedenmann","doi":"10.1002/bbpc.199700020","DOIUrl":"10.1002/bbpc.199700020","url":null,"abstract":"<p>Small angle neutron scattering (SANS) experiments have been carried out on a semiconductor-doped glass in order to determine the average size and shape of CdS<sub><i>x</i></sub>Se<sub>1−<i>x</i></sub> precipitates (<i>x</i> ≈ 0.7). The crystallites are of spherical shape with a mean radius of <i>R</i><sub>p</sub> = 3.5 ± 0.1 nm and are rather monodisperse. The polydispersity is lower than Δ<i>R/R</i><sub>p</sub> ∼0.1. Approximately 69% of CdS<sub><i>x</i></sub>Se<sub>1−<i>x</i></sub> are bound in the precipitates, the rest is dissolved in the glass matrix.</p>","PeriodicalId":100156,"journal":{"name":"Berichte der Bunsengesellschaft für physikalische Chemie","volume":"101 10","pages":"1552-1554"},"PeriodicalIF":0.0,"publicationDate":"2014-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/bbpc.199700020","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"101000390","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}
引用次数: 1
Electronic Structure of Polymerized C60 Phases 聚合C60相的电子结构
Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199700017
Joachim Schulte, Michael C. Böhm, Thomas Schedel-Niedrig, Robert Schlögl
{"title":"Electronic Structure of Polymerized C60 Phases","authors":"Joachim Schulte,&nbsp;Michael C. Böhm,&nbsp;Thomas Schedel-Niedrig,&nbsp;Robert Schlögl","doi":"10.1002/bbpc.199700017","DOIUrl":"10.1002/bbpc.199700017","url":null,"abstract":"<p>The band structure and solid state electronic properties of three polymerized C<sub>60</sub> phases are investigated by a crystal orbital (CO) approach based on an intermediate neglect of differential overlap (INDO) Hamiltonian. We have considered a one-dimensional (1D) body-centered orthorhombic phase as well as two 2D phases crystallizing in a body-centered tetragonal and a rhombohedral lattice. The CO results derived for the polymerized C<sub>60</sub> systems are correlated with electronic structure data of the isotropic body-centered cubic van der Waals crystal. We analyze the energy bands ϵ<sub><i>i</i></sub>(<i>k</i>), the associated electronic density of states (DOS) profiles as well as the atomic net charges and so-called Wiberg bond indices which measure the strength of covalent bonds. The formation of intermolecular CC σ bonds leads to an enhanced alternation between formal double and single bonds on the soccerball. The dimensionality of the four C<sub>60</sub> fullendes considered is discussed on the basis of the different quantities evaluated by the CO formalism. The theoretical results are supplemented by C 1s near-edge X-ray absorption fine structure (NEXAFS) spectra of polymerized and non-polymerized C<sub>60</sub> films before and after oxygen contamination.</p>","PeriodicalId":100156,"journal":{"name":"Berichte der Bunsengesellschaft für physikalische Chemie","volume":"101 10","pages":"1531-1543"},"PeriodicalIF":0.0,"publicationDate":"2014-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/bbpc.199700017","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"100802478","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}
引用次数: 2
Thermochemistry of the NaBr-Nal Solid Solution at 750 K – A Knudsen Effusion Mass Spectrometric Study NaBr-Nal固溶体在750k下的热化学——Knudsen液质谱研究
Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199800005
Miroslaw Miller, Klaus Hilpert
{"title":"Thermochemistry of the NaBr-Nal Solid Solution at 750 K – A Knudsen Effusion Mass Spectrometric Study","authors":"Miroslaw Miller,&nbsp;Klaus Hilpert","doi":"10.1002/bbpc.199800005","DOIUrl":"10.1002/bbpc.199800005","url":null,"abstract":"<p>The excess molar Gibbs energy and partial pressures at a temperature of 750 K for the solid phase of the NaBr-NaI system were determined by Knudsen effusion mass spectrometry. The parameters of the Redlich-Kister equation for G<sup>E</sup><sub>m</sub> resulted in kJ mol<sup>−1</sup> as <i>B</i><sub>1</sub> = 6.46 and <i>B</i><sub>2</sub> = −1.12. The thermodynamic data obtained from the molecular ion intensities of NaBr<sup>+</sup> and NaI<sup>+</sup> and those obtained from the fragment ion intensities of Na<sub>2</sub>Br<sup>+</sup> (from Na<sub>2</sub>Br<sub>2</sub>) and Na<sub>2</sub>I<sup>+</sup> (from Na<sub>2</sub>I<sub>2</sub>) agree well. The results of this work are discussed with respect to those reported by other authors.</p>","PeriodicalId":100156,"journal":{"name":"Berichte der Bunsengesellschaft für physikalische Chemie","volume":"102 10","pages":"1370-1375"},"PeriodicalIF":0.0,"publicationDate":"2014-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/bbpc.199800005","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"112438309","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}
引用次数: 1
Migration of Atomic and Molecular Hydrogen in SiO2: A Molecular Dynamics Study 原子氢和分子氢在SiO2中的迁移:分子动力学研究
Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199700030
A. Bongiorno, L. Colombo
{"title":"Migration of Atomic and Molecular Hydrogen in SiO2: A Molecular Dynamics Study","authors":"A. Bongiorno,&nbsp;L. Colombo","doi":"10.1002/bbpc.199700030","DOIUrl":"10.1002/bbpc.199700030","url":null,"abstract":"<p>We present a theoretical investigation on diffusion of atomic and molecular hydrogen in crystalline as well as amorphous silicon dioxide by means of molecular dynamics simulations. We report a characterization of the migration process of atomic hydrogen in quartz and tridymite and we provide an atomistic description of the diffusion of both atomic and molecular hydrogen in silica.</p>","PeriodicalId":100156,"journal":{"name":"Berichte der Bunsengesellschaft für physikalische Chemie","volume":"101 9","pages":"1229-1231"},"PeriodicalIF":0.0,"publicationDate":"2014-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/bbpc.199700030","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"110610143","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}
引用次数: 1
Special Features of the Preliminary γ-Irradiation Influence on Photoluminescence of Multi-Component Silicate Glasses 初步γ辐照对多组分硅酸盐玻璃光致发光影响的特殊性
Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199700019
M.A. Kasymdzhanov, S.S. Kasimova, S.S. Kurbanov, P.K. Khabibullaev
{"title":"Special Features of the Preliminary γ-Irradiation Influence on Photoluminescence of Multi-Component Silicate Glasses","authors":"M.A. Kasymdzhanov,&nbsp;S.S. Kasimova,&nbsp;S.S. Kurbanov,&nbsp;P.K. Khabibullaev","doi":"10.1002/bbpc.199700019","DOIUrl":"10.1002/bbpc.199700019","url":null,"abstract":"<p>In multi-component silicate glasses, under the UV-excitation, time-resolved luminescence spectra were observed. These spectra occupied the region of 350–700 nm. The dynamics of changes in radiation induced absorption and spectral-kinetic characteristics of luminescence of γ-irradiation glasses at the expiry of prolonged time were studied. It is assumed that the luminescence in these glasses is caused by quasi-molecular compelxe centers which include the elements of base substance and impurity atom. These centers can appear in the glass both in the process of its melting and under the action of ionizing radiation. It is shown that, the centers of different origin are characterized by different spectral-kinetic properties of their photoluminescence.</p>","PeriodicalId":100156,"journal":{"name":"Berichte der Bunsengesellschaft für physikalische Chemie","volume":"101 10","pages":"1549-1551"},"PeriodicalIF":0.0,"publicationDate":"2014-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/bbpc.199700019","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"108799778","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}
引用次数: 2
FTIR Spectroscopy to Monitor Impurities and Impurity-Interactions in Sillenite Crystals 傅立叶红外光谱法监测硅辉石晶体中杂质及其相互作用
Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199700039
Rosanna Capelletti, Paola Beneventi, László Kovács, Andrea Ruffini
{"title":"FTIR Spectroscopy to Monitor Impurities and Impurity-Interactions in Sillenite Crystals","authors":"Rosanna Capelletti,&nbsp;Paola Beneventi,&nbsp;László Kovács,&nbsp;Andrea Ruffini","doi":"10.1002/bbpc.199700039","DOIUrl":"10.1002/bbpc.199700039","url":null,"abstract":"<p>High resolution (0.04 cm<sup>–1</sup>) absorption spectroscopy is applied at 9 K to study the role played on the vibrational spectra by impurities (Im), as Si<sup>4+</sup>, Ge<sup>4+</sup>, P<sup>5+</sup>, V<sup>5+</sup>, Mn<sup>5+</sup>, and S<sup>6+</sup>, in Bi<sub>12</sub>SiO<sub>20</sub> (BSO), Bi<sub>12</sub>GeO<sub>20</sub> (BGO), and Bi<sub>12</sub>TiO<sub>20</sub> (BTO) sillenite single crystals. Up to three-phonon transitions (overtones of the F mode and combination of F and A modes) are detected for the impurities in ImO<sub>4</sub> tetrahedra. Weak anharmonicity effects are monitored. The presence of additional Im impurities modify the lines due to a) the stretching of OH, typical of the undoped material, and b) the multi-phonon transitions either of the intrinsic MeO<sub>4</sub> (Me = Si, Ge, and Ti) and of the ImO<sub>4</sub> tetrahedra. New bands are monitored due to the Im-OH interaction.</p>","PeriodicalId":100156,"journal":{"name":"Berichte der Bunsengesellschaft für physikalische Chemie","volume":"101 9","pages":"1282-1285"},"PeriodicalIF":0.0,"publicationDate":"2014-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/bbpc.199700039","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"107977144","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}
引用次数: 5
J. M. G. Cowie: “Chemie und Physik der synthetischen Polymere”. Ein Lehrbuch, Vieweg-Verlag. 489 Seiten. ISBN 3-528-06616-4, DM 78,- 科学与合成聚合物的化学与物理学一本教科书，薇出版社. 489页遇上
Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199800026
W. Haase
{"title":"J. M. G. Cowie: “Chemie und Physik der synthetischen Polymere”. Ein Lehrbuch, Vieweg-Verlag. 489 Seiten. ISBN 3-528-06616-4, DM 78,-","authors":"W. Haase","doi":"10.1002/bbpc.199800026","DOIUrl":"10.1002/bbpc.199800026","url":null,"abstract":"","PeriodicalId":100156,"journal":{"name":"Berichte der Bunsengesellschaft für physikalische Chemie","volume":"102 10","pages":"1521A-1522"},"PeriodicalIF":0.0,"publicationDate":"2014-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/bbpc.199800026","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"99492076","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}
引用次数: 7
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