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• W4315767530 abstract "The difluoromethylthio group (SCF2 H), which is generally considered a highly lipophilic weak hydrogen bonding donor, has attracted special interest from the pharmaceutical and agrochemical industry. Remarkably, there have been relatively few literature investigations of SCF2 H hydrogen bonding interactions. Here, we report the determination of the hydrogen bond acidity parameter A of the SCF2 H in the most popularly used electrophilic difluoromethylthiolating reagent. We present kinetic and computational evidence of the RSCF2 -H⋅⋅⋅O2 bifurcated hydrogen bond for stabilizing the SCF2 H-transferring transition state, which could cause a reversal of apparent electrophilic reactivity of difluoromethylthiolating and trifluoromethylthiolating reagents. Solvent effects on the RSCF2 -H⋅⋅⋅O2 bifurcated hydrogen bonds will also be discussed." @default.
• W4315767530 created "2023-01-13" @default.
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• W4315767530 date "2023-01-19" @default.
• W4315767530 modified "2023-10-14" @default.
• W4315767530 title "Transition State Stabilization by SCF₂−H⋅⋅⋅O Bifurcated Hydrogen Bond" @default.
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• W4315767530 doi "https://doi.org/10.1002/asia.202201244" @default.
• W4315767530 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36635229" @default.
• W4315767530 hasPublicationYear "2023" @default.
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