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- W2894544327 abstract "A comprehensive experimental survey consisting of 36 molecular balances was conducted to compare 18 pairs of S-π versus O-π interactions over a wide range of structural, geometric, and solvent parameters. A strong linear correlation was observed between the folding energies of the sulfur and oxygen balances across the entire library of balance pairs. The more stable interaction systematically switched from the O-π to S-π interaction. Computational studies of bimolecular PhSCH3-arene and PhOCH3-arene complexes were able to replicate the experimental trends in the molecular balances. The change in preference for the O-π to S-π interaction was due to the interplay of stabilizing (dispersion and solvophobic) and destabilizing (exchange-repulsion) terms arising from the differences in size and polarizability of the oxygen and sulfur atoms." @default.
- W2894544327 created "2018-10-05" @default.
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- W2894544327 date "2018-09-25" @default.
- W2894544327 modified "2023-10-18" @default.
- W2894544327 title "Tipping the Balance between S-π and O-π Interactions" @default.
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- W2894544327 doi "https://doi.org/10.1021/jacs.8b07617" @default.
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