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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 ASEP 0181035 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Ostatní články Title The 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, ORCIDSource Title Journal of the Chemical Society - Dalton Transactions - ISSN 0300-9246
č. 23 (2000), s. 4323-4331Language eng - English Country GB - United Kingdom Subject RIV CF - Physical ; Theoretical Chemistry CF - Physical ; Theoretical Chemistry R&D Projects OC D14.20 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z4040901 - 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. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2001
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