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Electronic Properties of 4,4Ž,5,5Ž-Tetramethyl-2,2Ž-biphosphinine (tmbp) in the Redox Series fac-[Mn(Br)(CO)3(tmbp)], [Mn(CO)3(tmbp)]2 and [Mn(CO)3(tmbp)]-: Crystallographic, Spectroelectrochemical and DFT Computational Study

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    0181738 - UFCH-W 20030172 RIV US eng J - Článek v odborném periodiku
    Hartl, F. - Mahabiersing, T. - Le Floch, P. - Mathey, F. - Ricard, L. - Rosa, P. - Záliš, Stanislav
    Electronic Properties of 4,4Ž,5,5Ž-Tetramethyl-2,2Ž-biphosphinine (tmbp) in the Redox Series fac-[Mn(Br)(CO)3(tmbp)], [Mn(CO)3(tmbp)]2 and [Mn(CO)3(tmbp)]-: Crystallographic, Spectroelectrochemical and DFT Computational Study.
    Inorganic Chemistry. Roč. 42, - (2003), s. 4442-4455. ISSN 0020-1669. E-ISSN 1520-510X
    Grant CEP: GA MŠMT OC D14.20
    Výzkumný záměr: CEZ:AV0Z4040901
    Klíčová slova: electronic properties * spectro-electrochemical
    Kód oboru RIV: CG - Elektrochemie
    Impakt faktor: 3.389, rok: 2003

    Stepwise electrochemical reduction of the complex fac-[Mn(Br)(CO)3(tmbp)] (tmbp- tetramethyl-2,2Ž-biphosphinine) produces the dimer [Mn(CO)3(tmbp)]2 and the five ůcoordinate anion [Mn(CO)3(tmbp)]-. All three members of the redox series have been characterized by single ů crystal X-ray diffraction. The crystallographic data provide valuable insight into the localization of the added electron on the (carbonyl)manganese and tmbp centers. In particular, the formulation of the two-electron-reduced anion as [Mn0(CO)-3(tmbp-)]- also agrees with the analysis of its IR (CO) wavenumbers and with the results of density functional (DFT) theoretical MO calculations on this compound. Comparison with the analogous 2,2Ž-bipyridine complexes has revealed striking similarity in the bonding properties and reactivity.
    Trvalý link: http://hdl.handle.net/11104/0001932

     
     

Počet záznamů: 1  

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