Abstract
An X-ray absorption spectroscopy study of the electronic structure of unsubstituted and hexadecafluoro-substituted copper phthalocyanines is performed. L absorption spectra of the copper atom and K absorption spectra of carbon, nitrogen, and fluorine atoms of unsubstituted and hexadecafluorosubstituted copper phthalocyanine are examined. A comparison of the absorption spectra in one binding energy scale enabled the estimation of contributions of AOs of all atoms of the considered compounds to lower unoccupied molecular orbitals and to determine the sequence of levels, their energies, and the occurrence of the interaction between certain atoms.
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Original Russian Text © 2014 G. I. Semushkina, L. N. Mazalov, T. V. Basova, R. V. Gulyaev.
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Translated from Zhurnal Strukturnoi Khimii, Vol. 55, No. 2, pp. 252–260, March–April, 2014.
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Semushkina, G.I., Mazalov, L.N., Basova, T.V. et al. An X-ray absorption spectroscopy study of the electronic structure of copper phthalocyanine and its fluorosubstituted analog. J Struct Chem 55, 232–240 (2014). https://doi.org/10.1134/S0022476614020061
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DOI: https://doi.org/10.1134/S0022476614020061