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- W2075804943 abstract "Ring opening of the (bicyclo[1.1.1]pent-1-yl)methyl (4), (bicyclo[2.1.1]hex-1-yl)methyl (5) and (bicyclo[3.1.1]hept-1-yl)methyl (6) radicals has been investigated by semiempirical molecular orbital theory MINDO/3 and AM1) and by experiment. Our results indicate that (4) ring-opens extremely rapidly, with an estimated energy barrier of less than 22 kJ mol-1. The higher homologues (5) and (6) rearrange more slowly with barriers of about 42.2 and 46.0 kJ mol-1 respectively. This trend is also observed in the MINDO/3 and AM1 results, with the latter giving the better agreement with experiment." @default.
- W2075804943 created "2016-06-24" @default.
- W2075804943 creator A5050562403 @default.
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- W2075804943 date "2010-08-22" @default.
- W2075804943 modified "2023-09-26" @default.
- W2075804943 title "ChemInform Abstract: Activation Parameters for Ring Opening of (Bicyclo(n.1.1)alk-1-yl) methyl Radicals." @default.
- W2075804943 cites W2949745396 @default.
- W2075804943 doi "https://doi.org/10.1002/chin.199203117" @default.
- W2075804943 hasPublicationYear "2010" @default.
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