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- W3208436114 abstract "The racemization mechanism of tert-butylphenylphosphido-borane is investigated experimentally and theoretically. Based on this converging approach, it is shown, first, that several phosphido-borane molecular species coexist at the time of the reaction and, second, that one particular of both initially assumed reactive routes most significantly contribute to the overall racemization process. From our converging modeling and experimental measurement, it comes out that the most probable species to be here encountered is a phosphido-borane-Li (THF)2 neutral solvate, whose P-stereogenic center monomolecular inversion through a Y-shaped transition structure (Δr G°≠ : 81 kJ mol-1 ) brings the largest contribution to the racemization process." @default.
- W3208436114 created "2021-11-08" @default.
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- W3208436114 date "2021-11-03" @default.
- W3208436114 modified "2023-10-01" @default.
- W3208436114 title "Racemization mechanism of lithium <i>tert</i>‐butylphenylphosphido‐borane: A kinetic insight" @default.
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- W3208436114 doi "https://doi.org/10.1002/chir.23383" @default.
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