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Excited States of Intermolecular Electron-Donor-Acceptor Systems and Internal Geometry of Complex' Components

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Deperasińska I., Sobieraj A.
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vol. 95
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issue 3
309-319
EN
In this work we present the results of semiempirical AM1 calculations of the energy of electron-donor-acceptor system in the ground and excited states with full optimization of the complex geometry (in terms of both: intermolecular and intramolecular coordinates). A comparison of these results with those obtained for separated acceptor and donor molecules enables the estimation of the energetic effects of changes in internal structure of donor and acceptor which accompany the process of formation and stabilization of excited charge-transfer state. It is shown that energies corresponding to those changes are comparable with the energy of intermolecular interactions between donor and acceptor molecules.
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K_{β}/K_{α} X-Ray Intensity Ratios for Co, Ni, Cu, and~Zn in Phthalocyanines Complexes

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Baltas H., Ertugral B., Kantar C., Sasmaz S., Yılmaz E., Cevik U.
Acta Physica Polonica A
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2011
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vol. 119
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issue 6
764-768
EN
The K_{β} / K_{α} X-ray intensity ratios of Co, Ni, Cu and Zn in metalophthalocyanines complexes have been studied. Co, Ni, Cu and Zn elements have been excited by using 59.5 keV photons emitted by 50 mCi ^{241}Am radioactive source. K X-rays emitted by samples have been counted by a Si(Li) detector with resolution 0.16 keV at 5.9 keV. We have found that K_{β} / K_{α} X-ray intensity ratios of Co, Ni, Zn, and Cu complexes have changed depending on chemical structures of Co, Ni, Zn and Cu. The measured values have been compared with the theoretical predictions and experimental values of pure elements.
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