Počet záznamů: 1  

Multifrequency EPR Study and Density Functional g-Tensor Calculations of Persistent Organorhenium Radical Complexes

  1. 1.
    0181532 - UFCH-W 20020162 RIV US eng J - Článek v odborném periodiku
    Frantz, Š. - Hartmann, H. - Doslik, N. - Wanner, M. - Kaim, W. - Kümmerer, H. J. - Denninger, G. - Barra, A. L. - Duboc-Toia, C. - Fiedler, Jan - Ciofini, I. - Urban, CH. - Kaupp, M.
    Multifrequency EPR Study and Density Functional g-Tensor Calculations of Persistent Organorhenium Radical Complexes.
    Journal of the American Chemical Society. Roč. 124, - (2002), s. 10563-10571. ISSN 0002-7863. E-ISSN 1520-5126
    Grant CEP: GA MŠMT OC D15.10
    Výzkumný záměr: CEZ:AV0Z4040901
    Klíčová slova: energy * spectroscopy * electrochemistry
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 6.201, rok: 2002

    The dinuclear radical anion complexes {(mu-L)[Re(CO)(3)Cl](2)}(.-), L = 2,2''-azobispyridine (abpy) and 2,2''-azobis(5-chloropyrimidine) (abcp), were investigated by EPR at 9.5, 94, 230, and 285 GHz (abpy complex) and at 9.5 and 285 GHz Whereas the X-band measurements yielded only the isotropic metal hyperfine coupling of the Re-185,Re-187 isotopes, the high-frequency EPR experiments in glassy frozen CH2Cl2/toluene solution revealed the g components. Both the a(Re-185,Re-187) value and the g anisotropy, g(1) - g(3), are larger for the abcp complex, which contains the better pi-accepting bridging ligand. Confirmation for this comes also from IR and UV/vis spectroscopy of the new {(mu-abcp)[Re(CO)(3)Cl](2)}(o/.-2/-) redox system. The g values are reproduced reasonably well by density functional calculations which confirm higher metal participation at the singly occupied MO and therefore larger contributions from the metal atoms to the anisotropy systems compared to complexes.
    Trvalý link: http://hdl.handle.net/11104/0078088

     
     

Počet záznamů: 1  

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