Abstract
The electronic structure of fluorobenzene was investigated by X-ray emission spectroscopy (using the F−Kα- and C−Kα-spectra) and quantum-chemical MNDO calculations. Molecular orbitals of fluorobenzene were compared with those of benzene and hydrogen fluoride. The Pπ−pπ-interaction between the phenyl ring and the fluorine atom in the fluorobenzene molecule is weak for both the outer and inner π levels.
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For Part 2, see Ref. 1.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1454–1460, August, 1997.
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Yumatov, V.D., Okotrub, A.V., Furin, G.G. et al. Electronic structure of monosubstituted benzenes and X-ray emission spectroscopy. Russ Chem Bull 46, 1389–1395 (1997). https://doi.org/10.1007/BF02505672
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DOI: https://doi.org/10.1007/BF02505672