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  • 1995-1999  (2)
  • 1990-1994  (1)
  • Metal-ligand bond energies  (2)
  • 68.55−a  (1)
  • 1
    Electronic Resource
    Electronic Resource
    New growth technique for luminescent layers on silicon (1992)
    Springer
    Applied physics 54 (1992), S. 567-569 
    Details
    ISSN: 1432-0630
    Keywords: 68.55−a ; 68.65+g ; 78.55−m
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract We report the growth of siloxene on crystalline silicon (111) surfaces based on the chemical transformation of a calcium disilicide layer. The siloxene films obtained show a prominent luminescence in the green, with intensities comparable to the luminescence observed from porous silicon. The structural properties of the siloxene films are studied with infrared transmission and TEM micrographs.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00324341
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Density functional calculations of the structures and bond energies of Cr(CO)6 and (η6-C6H6) Cr(CO)2(CX) (X=O, S) complexes (1995)
    Springer
    Theoretical chemistry accounts 91 (1995), S. 157-167 
    Details
    ISSN: 1432-2234
    Keywords: Density functional theory ; Metal-ligand bond energies ; Chromium ; Arene complexes ; Chalcocarbonyls
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Quantum chemical calculations based on density functional theory have been performed on Cr(CO)6, (η6-C6H6)Cr(CO)3 and (η6-C6H6)Cr(CO)2(CS) at the local and nonlocal level of theory using different functionals. Good agreement is obtained with experiment for both optimized geometries and metal-ligand binding energies. In particular, a comparison of metal-arene bond energies calculated for the (η6-C6H6)Cr(CO)3 and (η6-C6H6)Cr(CO)2(CS) complexes correlates well with kinetic data demonstrating that substitution of one CO group by CS leads to an important labilizing effect of this bond, which may be primarily attributed to a larger π-backbonding charge transfer to the CS ligand as compared with CO.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01114983
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Density functional calculations of the structures and bond energies of Cr(CO)6 and (η6-C6H6)Cr(CO)2(CX) (X=O, S) complexes (1995)
    Springer
    Theoretica chimica acta 91 (1995), S. 157-167 
    Details
    ISSN: 0040-5744
    Keywords: Key words: Density functional theory ; Metal-ligand bond energies ; Chromium ; Arene complexes ; Chalcocarbonyls
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary.  Quantum chemical calculations based on density functional theory have been performed on Cr(CO)6, (η6-C6H6)Cr(CO)3 and (η6-C6H6)Cr(CO)2(CS) at the local and nonlocal level of theory using different functionals. Good agreement is obtained with experiment for both optimized geometries and metal–ligand binding energies. In particular, a comparison of metal–arene bond energies calculated for the (η6-C6H6)Cr(CO)3 and (η6-C6H6)Cr(CO)2(CS) complexes correlates well with kinetic data demonstrating that substitution of one CO group by CS leads to an important labilizing effect of this bond, which may be primarily attributed to a larger π-backbonding charge transfer to the CS ligand as compared with CO.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01114983
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
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