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- W3016774974 endingPage "3224" @default.
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- W3016774974 abstract "Herein we report a comparison of Lewis acidity indicators (affinity scales, electronegativity, Fukui functions, global electrophilicity index) with a new in silico Beckett–Childs descriptor based on the build‐up of partial charge, computed by DFT, on phosphine oxide coordinated to a Lewis acid. When applied to a broad series of triflate and triflimide salts, the last descriptor allowed a qualitative description of catalytic activity trends for the model amination reaction of benzyl alcohol with aniline. A high activity for titanium triflimide was predicted and experimentally confirmed." @default.
- W3016774974 created "2020-04-24" @default.
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- W3016774974 date "2020-06-04" @default.
- W3016774974 modified "2023-10-09" @default.
- W3016774974 title "Rational Optimization of Lewis-Acid Catalysts for the Direct Amination of Alcohols, Part 1 - Activity Descriptors for Metal Triflates and Triflimides" @default.
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