Spectral characteristics and DFT Study of vanadyl octaethylporphyrin complex
نویسندگان
چکیده
منابع مشابه
DFT Study on Structural Distortion and Vibronic Coupling of Vanadyl Porphyrin Anion and Cation
The geometries of one-electron reduced/oxidized species ([TOP]/[VOP]) of vanadyl porphyrin (VOP) have been calculated with PBE1PBE method. The results show that for both [VOP]− and [VOP] the ground states are triplet, in which one of the two unpaired electron occupies the dxy orbital of the V atom while the other occupies the π-orbital of porphyrin ring. Thus both [VOP]− and [VOP] can be consid...
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Laser flash induced spin-polarized transient electron paramagnetic resonance (TREPR) spectra for vanadyl octaethylporphyrin in isotropic and partially ordered frozen solutions are presented and compared with corresponding luminescence data. The TREPR spectra show well-resolved hyperfine couplings to the vanadium nucleus and a multiplet polarization pattern with features typical of zero-field sp...
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The dynamics of the low-lying excited states of vanadyl octaethylporphyrin (OEPVO) in frozen solution is investigated by transient electron paramagnetic resonance (TREPR). The observation of spin-polarized TREPR spectra from the lowest excited trip-quartet state of OEPVO, reported in the preceding paper, opens a new avenue for investigation of the excited states of such molecules. Here, a model...
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ژورنال
عنوان ژورنال: Mediterranean Journal of Chemistry
سال: 2019
ISSN: 2028-3997
DOI: 10.13171/10.13171/mjc8219043008heh