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    DFT calculations of pentalenoquinones: towards the interception of 2-bromopentalene-1,5-dione
    (Arkat Usa Inc, 2008) Atalar, Taner; Algi, Fatih; Balci, Metin
    To reveal the stability and the aromatic character of pentalenoquinones (PQs) 1-4 and the corresponding bromo derivatives (Br-PQs) 6-9, DFT calculations (B3LYP/6-311+G(d,p)) concerning the geometry optimization, total energy and nucleus independent chemical shift (NICS) values were performed. It was found that all of the compounds have planar geometry. As the energy difference between HOMO-LUMO energy levels (Delta epsilon=epsilon(LUMO) - epsilon(HOMO)) and total energies were considered for the pentalene family, the stability order was found to be 1 > 2 > 3 > 4 for PQs, and 6 > 7 > 8 > 9 for Br-PQs. Furthermore 2-bromopentalene-1,5-dione (6) in solution was investigated and noted that it was too reactive to be isolated or even trapped.
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    Öğe
    The synthesis, characterization and energy transfer efficiency of a dithienylpyrrole and BODIPY Based Donor-Acceptor System
    (Tubitak Scientific & Technological Research Council Turkey, 2009) Atalar, Taner; Cihaner, Atilla; Algi, Fatih
    A dithienylpyrrole-BODIPY based donor-acceptor system with 1,4-phenylene spacer as a model system for energy transfer was designed and synthesized. Absorption and emission spectra have revealed an efficient resonance energy transfer from dithienylpyrrole as donor to BODIPY as acceptor.