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The Spectroscopic, Electrochemical and Photophysical Effects of the b.sub.1./sub./a.sub.2./sub. ă* Lowest Unoccupied Molecular Orbital Switching in [M(CO).sub.4./sub.(N,N)] (M=Cr or W; N,N=1,10-phenanthroline or 3,4,7,8-tetramethyl-1,10-phenanthroline).

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    SYSNO ASEP0181035
    Document TypeJ - Journal Article
    R&D Document TypeJournal Article
    Subsidiary JOstatní články
    TitleThe Spectroscopic, Electrochemical and Photophysical Effects of the b1/a2 ă* Lowest Unoccupied Molecular Orbital Switching in [M(CO)4(N,N)] (M=Cr or W; N,N=1,10-phenanthroline or 3,4,7,8-tetramethyl-1,10-phenanthroline). An Experimental and DFT Computational Study
    Author(s) Farrell, I. R. (GB)
    Hartl, F. (NL)
    Záliš, Stanislav (UFCH-W) RID, ORCID
    Vlček, Antonín (UFCH-W) RID, ORCID
    Source TitleJournal of the Chemical Society - Dalton Transactions - ISSN 0300-9246
    č. 23 (2000), s. 4323-4331
    Languageeng - English
    CountryGB - United Kingdom
    Subject RIVCF - Physical ; Theoretical Chemistry CF - Physical ; Theoretical Chemistry
    R&D ProjectsOC D14.20 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
    CEZAV0Z4040901 - UFCH-W
    A54/98:Z4-040-9-ii
    Annotation[M(CO)4(N,N)]; M=Cr, W; N,N=1,10-phenanthroline (phen) and 3,4,7,8-tetramethyl-1,10-phenanthroline (tmp) revealed LUMO switching: b1 and a2, respectively, which is not accompannied by a change of the low-lying MLCT electronic transitions.Reduction produces the corresponding radical anions of very different properties for tmp and phen due to different SOMOs. The switching of LUMO character between b 1 and a 2 can have important implication for constructing molecular devices.
    WorkplaceJ. Heyrovsky Institute of Physical Chemistry
    ContactMichaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196
    Year of Publishing2001

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