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  • 1
    Electronic Resource
    Electronic Resource
    1,3-Bis(2-thienylmethylene)1-1H,3H1-thieno[3,4-c]thiophene: A Precursor for a New Low Band Gap Polymer (1993)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 126 (1993), S. 1487-1491 
    Details
    ISSN: 0009-2940
    Keywords: Polymers, low band gap ; Polyarenemethylenes ; 1H,3H1-Thieno[3,4-c]thiophene derivative ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new precursor, 1,3-bis(2-thienylmethylene)1-1H,3H1-thieno-[3,4-c]thiophene(9), for polyarenemethylenes (PAM), which are predicted to be low band gap polymers, is obtained by a Knoevenagel-type condensation of 1H,3H1-thieno[3,4-c]thiophene 2-oxide (7) with 2-thiophenecarbaldehyde followed by reduction of the intermediate sulfoxide 8 with 2-chloro-1,3,2-benzodioxaphosphole. Several investigations with cyclic voltammetry and UV-Vis-NIR spectroelectrochemistry (SEC) are carried out on 9. The experimental data are compared with the results of electronic band structure calculated on the basis of an MNDO-optimized geometric structure by VEH pseudopotential method.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19931260633
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Local Density Functional Study of Copper Clusters: A Comparison between Real Clusters, Model Surface Clusters, and the Actual Metal Surface (1999)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 1999 (1999), S. 349-360 
    Details
    ISSN: 1434-1948
    Keywords: Copper clusters ; Cu(100) surface ; Chemical hardness ; Relaxation energy ; Size effect ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Density Functional Theory is used to study the influence of the size of copper clusters modeling the Cu(100) surface, on the electronic properties: ionization potential, electron affinity, electronic chemical potential, and chemical hardness. The model clusters are chosen to have a bilayer structure and range in size from 9 to 20 copper atoms. The chemical hardness being identified as the relaxation energy of the frontier levels when an electron is removed or added to the system, a simple expression is proposed to estimate its value from the eigenenergies of the frontier levels in neutral and partially ionized systems. A detailed comparison of the geometric and electronic structures is made between the model surface copper clusters, real copper clusters, and the actual metal surface; it is seen that the model surface clusters provide an easy extrapolation to the properties of the metal surface.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
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