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- W1593077266 abstract "To discuss the reactivities of some aromatic compounds substituted by the phosphino (Y2P) or the phosphinyl group (Y2PO) the MO's of the unsubstituted compounds were calculated by an SCF-π-MO-method. This was done for the ground state as well as for some transition-state like structure. Perturbation theory was used to analyze the effect of the substituents in question on both states. There are the following results. (1) The phosphino and the phosphinyl group stabilize electron rich transition states relative to neutral ground states by interactions of the non-bonding unoccupied d-orbitals on phosphorus with the occupied orbitals of the rest, the phosphinyl group being more effective by an extra stabilizing charge interaction. (2) The phosphinyl group destabilizes electron deficient transition states relative to neutral ground states by charge interactions, while the phosphino group slightly stabilizes those states by weak interactions of the hybrid orbital on phosphorus with unoccupied orbitals of the rest." @default.
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- W1593077266 date "1976-01-01" @default.
- W1593077266 modified "2023-10-02" @default.
- W1593077266 title "Substituenteneinfluss der phosphino- und der phosphinylgruppe auf die reaktivität aromatischer verbindungen—II" @default.
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- W1593077266 doi "https://doi.org/10.1016/s0040-4020(01)93780-9" @default.
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