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- W2073456112 abstract "Density functional study of the reaction of Sn(OCH2CH2NMe2)2 (1) with Me3Si–N3 (2) yielding the redistribution product [(N3)SnOCH2CH2NMe2]2 (3) has been performed at the PBE/TZ2P(SBKJC) level. Two possible reaction paths, the formation of [(N3)SnOCH2CH2NMe2]2 (path A) and initially expected imine Me3Si–NSn(OCH2CH2NMe2)2 (5) (path B), have been studied. The formation of the imine 5 is thermally more favorable than the formation of dimeric stannylene 3, ΔG0(5) = −6.7 kcal/mol and ΔG0(3) = −5.9 kcal/mol. The reaction proceeds to 3 due to a lower energy barrier, ΔG‡ = 27.8 and 39.5 kcal/mol for 3 and 5, respectively." @default.
- W2073456112 created "2016-06-24" @default.
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- W2073456112 date "2008-08-01" @default.
- W2073456112 modified "2023-09-23" @default.
- W2073456112 title "New type of reactions of stannylenes with organic azides: Theoretical study" @default.
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- W2073456112 doi "https://doi.org/10.1016/j.theochem.2008.04.024" @default.
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