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- W2022630140 abstract "A multi-linear-regression analysis using the Kamlet–Abbout–Taft (KAT) solvatochromic parameters in order to elucidate and quantify the solvent effects on the 17O chemical shifts of three 4-dimethylsulfoximide-1,1,1-trifluoro-3-buten-2-ones is reported. The predominant conformational structures of compounds has been determined by energy minimization calculations using the Austin Model (AM1) semi-empirical method, which has been used to explain the 17O NMR chemical shifts for CO and SO groups. The chemical shifts of carbonyl and sulfoximide oxygen’s of molecules showed similar dependencies (in ppm) on the solvent polarity–polarizability and the solvent hydrogen-bond-donor (HBD) acidities. The influence of solvent hydrogen-bond-acceptor (HBA) basicities was little significant." @default.
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- W2022630140 date "2003-06-01" @default.
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- W2022630140 title "Solvent effects on the 17O NMR chemical shifts of 4-dimethylsulfoximide-1,1,1-trifluoro-3-alken-2-ones" @default.
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