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  • Inorganic Chemistry  (14)
  • 14.80.Pb  (2)
  • Rare earth elements  (2)
  • 1
    Electronic Resource
    Electronic Resource
    Energy-adjusted pseudopotentials for the rare earth elements (1989)
    Springer
    Theoretical chemistry accounts 75 (1989), S. 173-194 
    Details
    ISSN: 1432-2234
    Keywords: Pseudopotentials ; Rare earth elements
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Nonrelativistic and quasirelativistic energy-adjusted pseudopotentials and optimized (7s6p5d)/[5s4p3d]-GTO valence basis sets for use in molecular calculations for fixed f-subconfigurations of the rare earth elements, La through Lu, have been generated. Atomic excitation and ionization energies from numerical HF, as well as SCF pseudopotential calculations using the derived basis sets, differ by less than 0.1 eV from numerical HF all-electron results. Corresponding values obtained from CI(SD), CEPA-1, as well as density functional calculations using the quasirelativistic pseudopotentials, are in reasonable agreement with experimental data.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00528565
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  • 2
    Electronic Resource
    Electronic Resource
    Pseudopotential study of the rare earth monohydrides, monoxides and monofluorides (1989)
    Springer
    Theoretical chemistry accounts 75 (1989), S. 369-387 
    Details
    ISSN: 1432-2234
    Keywords: Pseudopotentials ; Rare earth elements
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Nonrelativistic and quasirelativistic energy-adjusted pseudopotentials for fixed 4f subconfigurations of the rare earth elements La through Lu together with corresponding optimized valence basis sets have been used in SCF and CI(SD) calculations to determine the spectroscopic constants for the energetically low lying superconfigurations of the lanthanide monohydrides, monoxides and monofluorides. The experimentally observed trends in dissociation energies, bond lengths and vibrational frequencies for the ground states of the calculated superconfigurations of the monoxides and monofluorides are well reproduced. The results for the monohydrides are mainly predictions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00526695
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  • 3
    Electronic Resource
    Electronic Resource
    Evidence for a resonance in positron-electron scattering at 810 keV centre-of-mass Energy (1988)
    Springer
    The European physical journal 330 (1988), S. 173-181 
    Details
    ISSN: 1434-601X
    Keywords: 13.10.+q ; 12.20.Fv ; 14.80.Pb
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A monoenergetic positron (e +) beam (ΔT/T〈5·10−4) from the Stuttgart pelletron accelerator and a 4.6 mg/cm2 Be target has been employed to investigatee + e −scattering in the MeV region in a large solid angle with high statistics by means of a novel positionsensitive detector system. Superimposed on the Bhabha scattering, a structure has been found at ane + kinetic energy of 2263 keV (810 keV excitation energy in thee + e −rest frame). From the energy-integrated resonance cross-section of $$\sigma _{res} \cdot \Gamma _{res}^{e^ + e^ - } $$ ≅30 b·eV (c.m.) and the standard resonance cross-section we estimate partial resonance widths $$\Gamma _{res}^{e^ + e^ - } $$ ≅72 meV or 24 meV for total angular momenta J=0 or J=1, respectively. The structure, which has not been predicted within the framework of quantum electrodynamics, coincides with one of the sum energies of the correlatede + e −lines observed in heavy-ion collisions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01293393
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  • 4
    Electronic Resource
    Electronic Resource
    Limits for two-photon ande + e − decay widths of positron-electron scattering resonances for√s=1.78 to 1.92 MeV (1991)
    Springer
    The European physical journal 340 (1991), S. 209-218 
    Details
    ISSN: 1434-601X
    Keywords: 14.80.Pb ; 13.10. + q ; 12.20.Fv
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Motivated by the observation of energy- and momentum-correlatede + e − pairs in heavy ion collisions, a search for resonances ine + e − scattering at the corresponding energies has been made. Thee + e − decay channel is analyzed in a time window from ∼ 10−13 s to ∼ 10−11 s with a set-up optimized for low-background detection of delayede + e − decays. The two-photon decay channel of a hypothetical resonance is investigated by measuring the two-photon annihilation-in-flight excitation function. New upper limits for the partiale + e − decay width Γee of a few meV are derived for total centre-of-mass energies √s between 1.78 and 1.92 MeV, taking into account the dilepton as well as the two-photon decay of a neutral resonance.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01303834
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  • 5
    Electronic Resource
    Electronic Resource
    Darstellung und Schwingungsspektrum von Tetrathiomethyl-phosphonium-hexachloroantimonatFrau Professor Margot Becke-Goehring zum 60. Geburtstage gewidmet (1974)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 406 (1974), S. 307-311 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Preparation and Vibrational Spectrum of Tetra-thiomethyl-phosphoniuin-hexachloroantimonatePreparation, properties and vibrational spectrum of Tetra-thiomethyl-phosphonium-hexachloroantimonate are reported. The kind of bonding in the ion is brief discussed.
    Notes: Es wird über die Darstellung, Eigenschaften und Schwingungsspektren des Tetra-thiomethyl-phosphonium-hexachloroantimonats berichtet. Die Bindungsverhältnisse werden kurz diskutiert.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19744060225
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  • 6
    Electronic Resource
    Electronic Resource
    Über das Fluoreszenzthermochrome Acetonitrilo-Kupferjodid mit Dibenzo-18-Krone-6 (1978)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 442 (1978), S. 221-224 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: About the Fluorescence Thermochromism of Acetonitrile Copper Iodide with Dibenzo-18-Crown-6Copper iodide reacts in actonitrile solution with dibenzo-18-crown-6 to form a compound,(CuJ)4(CH3CN)4(db-18-c-6), which fluoresces yellow at 298K, but pink at 77 K. It decomposes at 55.3°C. (5 Torr) by lost of acetonitrile and a heterogeneous mixture of copper iodide and polyether results. In absence of dibenzo-18-crown-6, copper iodide forms with acetonitrile a heterogeneous mixture of copper iodide and polyether results. In absence of dibenzo-18-crown-6, copper iodide forms with acetonitrile a solvate CuJ. CH3CN. It also shows fluorescence thermochromism (yellow at 298 K, but green at 77 k) but decomposes at 0°C and 760 Torr.The luminescences pectra of the macrocyclic polyether complex at 298 K is redshifted. This probably results from intersection between the crown and the acetonitrile copper iodide.
    Notes: Kupferjodid bildet in Acetonitril mit Dibenzo-18-Krone-6 eine Verbindung der Zusammensetzung (CuJ)4(CH3CN)4(db-18-c-6), die bei Raumtemperatur gelb, bei 77K rosa fluoresziert. Sie zersetzt sich bei 55,3°C (5 Torr) unter Verlust von Acetonitril zu einem heterogenen Gemenge aus Kronenäther Kupferjodid.In Abwesenheit von Kronenäther bildet Kupferjodid in Acetonitril ein Solvat CuJ · CH3CN. Es ist ebenfalls fluoreszenzthermochrom (gelb bei 298 K, grün bei 77 K) und zersetzt sich allerdings schon bei 0°C( 760 Torr). Das Lumineszenzspektrum des makrocyclischen Polyätherkomplexes ist bei 298 K rotverschoben, was wahrscheinlich auf die Wechselwirkung des Kronenäthers mit dem Acetonitrilo-Kupferjodid zurückzuführen ist.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19784420129
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  • 7
    Electronic Resource
    Electronic Resource
    Schwingungsspektren und Kraftkonstanten der Übergangsreihen OPF3 - OP(CH3)3 und SPF3 - SP(CH3)3 (1972)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 389 (1972), S. 269-279 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The vibration spectra (IR and RAMAN) are reported for OPF2(CH3), OPF(CH3)2, SPF2(CH3), SPF(CH3)2 and SPF2(C2H5) and assigned to the normal vibrations. For these compounds all valence force constants are calculated by a simplified valence force field. Substitution of fluorine atoms by the methyl group causes a diminuation of all force constants. There is a clear difference between Δf P—CH3 (- 18%) and Δf X =P and Δf P—F (-30%). The P—CH3 bond is incapable to form dπ—pπ-bonds. Therefore the diminuation of f P—CH3 is caused only by the inductive effect.
    Notes: Von OPF2(CH3), OPF(CH3)2, SPF2(CH3), SPF(CH3)2 und SPF2(C2H5) werden die Schwingungsspektren (meistens IR und RAMAN) mitgeteilt und den Grundschwingungen zugeordnet. Gemeinsam mit den Endgliedern XPF3 und XP(CH3)3 (X = O, S) werden die Valenzkraftkonstanten nach einem Näherungsverfahren berechnet. Sämtliche Kraftkonstanten nehmen beim Ersatz von Fluor durch die Methylgruppe stark ab. Für f P—CH3 (-18%) ergibt sich gegenüber f P = X und f P—F (-30%) ein deutlicher Unterschied, bedingt durch die Unfähigkeit der CH3-Gruppe zur Ausbildung von dπ—pπ-Bindungen. Die Abnahme für f P—CH3 wird auf den induktiven Effekt allein zurückgeführt.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19723890307
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  • 8
    Electronic Resource
    Electronic Resource
    Schwingungsspektren und Kraftkonstanten der Übergangsreihen OP(N(CH3)2)3-OPCI3 und SP(N(CH3)2)3-SPCl3Professor Oskar Glemser zum 60. Geburtstage gewidmet (1971)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 385 (1971), S. 56-64 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The vibrational spectra (IR and RAMAN) from XP(N(CH3)2)2Cl and XP(N(CH3)2)Cl2 (X = O, S) are reported. The spectra are discussed and assigned to the normal vibrations in connection with the spectra of XP(N(CH3)2)3 and XPCl3. The valence force constants are calculated by a simplified valence force field. f P-NR2 and f P-Cl decrease slightly on substitution of the NR2 group by chlorine; f P-X, on the contrary, increases very distinctly. This is caused by the change from an element of the second period to an element of the third one.
    Notes: Es werden die Schwingungsspektren (IR und RAMAN) von XP(N(CH3)2)2Cl und XP(N(CH3)2)Cl2 mitgeteilt und in Zusammenhang mit den Spektren der Randglieder dieser Reihe XP(N(CH3)2)3 und XPCl3 (X = O, S) diskutiert und zugeordnet. Auf dieser Grundlage wurden nach einem Näherungsverfahren die Valenzkraftkonstanten ermittelt. Während f P-NR2 und f P-Cl beim Ersatz der NR2-Gruppen durch Chlor leicht abnehmen. zeigen beide f P-X eine starke Zunahme. Da beide Bindungspartner (NR2 und Cl) ungefähr gleiche Elektronegativität besitzen, so muß die starke Zunahme von f P-X auf die Zugehörigkeit der beiden Bindungspartner zu verschiedenen Perioden des Systems zurückgeführt werden.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19713850109
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  • 9
    Electronic Resource
    Electronic Resource
    Schwingungsspektren und Kraftkonstanten der Übergangsreihen OPF3—OP(OCH3)3 und SPF3—SP(OCH3)3Professor Günther Rienäcker zum 70. Geburtstage am 13. Mai 1974 gewidmet (1974)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 405 (1974), S. 275-285 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Vibrational Spectra and Force Constants of the Series OPF3—OP(OCH3)3 and SPF3—SP(OCH3)3The vibrational spectra (IR and RAMAN) for OPF2(OCH3), OPF(OCH3)2, SPF2(OCH3) and SPF(OCH3)2 are reported and assigned to the normal vibrations. The valence force constants are calculated by a simplified valence force field. The changes of the bonds are discussed.
    Notes: Es werden die Schwingungsspektren (IR und RAMAN) von OPF2(OCH3), OPF(OCH3)2, SPF2(OCH3) und SPF(OCH3)2 mitgeteilt und die Zuordnung zu den Grundschwingungen vorgenommen. Nach einem Näherungsverfahren werden die Valenzkraftkonstanten berechnet und die Bindungsverhältnisse diskutiert.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19744050308
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  • 10
    Electronic Resource
    Electronic Resource
    Wirkung von Substituenten und Anionen auf die Fluoreszenzeigenschaften gemischtligandiger (Amin-triphenylphosphan)kupfer(I)-Halogenide (1981)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 480 (1981), S. 199-204 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Effect of Substituents and Anions on the Fluorescence Properties of Mixed-Ligand (Amine-triphenylphosphane) Copper(I) HalidesMixed-ligand complexes analyzing CuHal · PΦ3 · Py—R where Hal = Cl-, Br-, I- and where R are various substituents at the pyridine (Py) exhibit an intense solid state fluorescence depending on substituent and anion when excited with uv radiation (365 nm). It will be shown that there is a relation between fluorescence and mesomeric and inductive properties of substituents and anions.
    Notes: Gemischtligandige Komplexe der Zusammensetzung CuHal · PΦ3 · Py—R mit Hal = Cl-, Br-, I- und R = verschiedenen Substituenten am Pyridin (Py) weisen bei UV-Bestrahlung (365 nm) im festen Zustand eine intensive Fluoreszenz auf. Es soll gezeigt werden, daß ein Zusammenhang der Fluoreszenz mit den mesomeren und induktiven Eigenschaften von Substituenten und Anionen besteht.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19814800926
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