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  • 1990-1994  (1)
  • 1975-1979  (1)
  • Chemistry  (1)
  • Lanthanoid elements  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 85 (1993), S. 441-450 
    ISSN: 1432-2234
    Keywords: Lanthanoid elements ; Pseudopotentials ; Ligand field model
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Improved energy-adjusted quasirelativistic pseudopotentials for lanthanoid atoms with fixed valency are presented and tested in molecular calculations for CeO, CeF, EuO, GdO, YbO, and YbF. The pseudopotential calculations treat the lanthanoid 4f shell as part of the core and yield accurate estimates for average bond lengths, vibrational frequencies and dissociation energies of all states belonging to a superconfiguration. Information for each individual state of the considered superconfiguration may be obtained from subsequent ligand field model calculations. The results of this combined pseudo-potential and ligand field approach (PPLFT) are compared to more accurate calculations with ab initio pseudopotentials that include the lanthanoid 4f orbitals explicitly in the valence shell and to available experimental data.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 442 (1978), S. 221-224 
    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
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