Evaluation of the reactivity of new activated difluoroaromatic compounds |
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| Authors: | A L Rusanov M L Keshtov S V Keshtova |
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| Institution: | (1) A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813 Moscow, Russian Federation;(2) Department of Chemistry, M. V. Lomonosov Moscow State University, Leninskie Gory, 119899 Moscow, Russian Federation |
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| Abstract: | To evaluate the reactivity of new difluroroaromatic compounds in nucleophilic substitution, the positive charges on carbon
atoms of C−F bonds were calculated using the quantum-chemical semiempirical PM3 method. A correlation between the charges
calculated and the chemical shifts in the19F NMR spectra was established.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 4, pp. 623–625, April, 1998. |
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| Keywords: | reactivity difluoroaromatic compounds 19F NMR chemical shift charge correlation |
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