Title
Izuchenie mekhanizma reaktsii: karbonilirovaniya stirola kompleksami palladiya (II) kvantovokhimicheskimi metodami (Russian Edi,Used
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Kvantovokhimicheskimi metodami detal'no issledovany osnovnye intermediaty reaktsii karbonilirovaniya stirola kompleksami palladiya, chto pozvolilo glubzhe ponyat' mekhanizm i zakonomernosti protekaniya etoy reaktsii. Ustanovleno geometricheskoe stroenie gidridnykh pikompleksov palladiya so stirolom, ligandirovannykh molekulami trifenilfosfina i monooksida ugleroda, provedena otsenka ikh stabil'nosti. Opredeleny geometricheskie razmery alkil'nykh kompleksov, obrazuyushchikhsya v rezul'tate prisoedineniya SO k gidridnym pikompleksam. Pokazano, chto opredelyayushchee vliyanie na regioselektivnost' reaktsii okazyvaet eye stadiya migratsionnogo vnedreniya stirola po svyazi PdH s obrazovaniem alkil'nykh kompleksov, vklyuchayushchuyu pi,sigmaperegruppirovku metalloorganicheskoy gruppy i protekayushchuyu cherez chetyrekhtsentrovoe perekhodnoe sostoyanie.
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