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- W2038271446 abstract "A computational study of anionic complexes of general formula [FX⋯CH3⋯YF]− (X, Y = Cl, Br) predicted minimum energy structures with unusual bonding features. The two F atoms, the halogens X and Y and the central C atom all lie on the same straight line, with the three H atoms forming covalent CH bonds perpendicular to this straight line. The bonding analysis suggests that the extra negative charge is localized on the central C atom and interacts favourably with the sigma-holes originating from the adjacent FX and YF molecular subunits. This unusual cooperative bonding results in energetically stable complexes." @default.
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- W2038271446 date "2014-04-01" @default.
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- W2038271446 title "Sigma-hole cooperativity in anionic [FX⋯CH3⋯YF]− (X, Y=Cl, Br) complexes" @default.
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- W2038271446 doi "https://doi.org/10.1016/j.cplett.2014.02.054" @default.
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