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- W1992379529 abstract "The reported high barriers (75–80 kJ mol–1) for a conformational process of 2,2′-dimethyl-4,4′-dialkyl-1,1′-bipiperidines (1) do not originate from the claimed eclipsing conformation but are attributed to a staggered barrier appearing in the course of the rotation of N–N bond, wherein two sets of gPgM arrangements in Me–C(2)–N(1)–N(1′)–C(6′) and C(6)–N(1)–N(1′)–C(2′)–Me units are inescapably locked into a strained S2 symmetric disposition. This proposal is based on molecular mechanics calculations of model molecules including 1-(2-methylcyclohexyl)-2-methylpiperidine (4; R1= R2= Me). Bond drive calculations of bicyclohexyls variously substituted at 2,2′,6, or 6′ positions also predict a number of examples wherein the rotation around the pivot bond should be restricted." @default.
- W1992379529 created "2016-06-24" @default.
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- W1992379529 date "1984-01-01" @default.
- W1992379529 modified "2023-10-17" @default.
- W1992379529 title "Application of empirical potential energy calculations to organic chemistry. Part 22. Restricted internal rotation in substituted 1,1′-bipiperidines, 1-cyclohexylpiperidines, and related molecules due to 1,5-interactions across the pivot bond" @default.
- W1992379529 doi "https://doi.org/10.1039/p29840000995" @default.
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