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- W4238595308 abstract "The reasons for the reactivity increase toward acyl chlorides caused in aromatic amines by silylation are studied by quantum semiempirical and ab initio methods. Silylated amino groups adopt an sp2 planar geometry, in contrast to that observed in the unsilylated series, where a partially pyramidal structure intermediate between sp3 and sp2 geometry was obtained. Silylation also causes a strong increase of electronic density on the amine nitrogen and an increase of the Highest Occupied Molecular Orbital (HOMO) energy, both effects favoring the higher reactivity of these silylated amines. In addition to that, silylation produces a decrease of the activation energy in the reaction with an acyl chloride, relative to the unsilylated amines, thus increasing reaction rate." @default.
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- W4238595308 date "1998-01-01" @default.
- W4238595308 modified "2023-09-25" @default.
- W4238595308 title "Quantum semiempirical study on the reactivity of silylated diamines in the synthesis of aromatic polyamides" @default.
- W4238595308 doi "https://doi.org/10.1002/mats.1998.040070106" @default.
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