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For a recent review on pentiptycene chemistry, see
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All line shape simulations were performed using the Bruker Topspin 2.0 program.
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All line shape simulations were performed using the Bruker Topspin 2.0 program.
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18
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40549127108
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To expedite the calculations, the octyl group was replaced by a methyl group. The BMK functional has been shown to be a good functional in terms of thermochemistry and kinetics for main-group elements. Zhao, Y.; Truhlar, D. G. Acc. Chem. Res. 2008, 41, 157-167.
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To expedite the calculations, the octyl group was replaced by a methyl group. The BMK functional has been shown to be a good functional in terms of thermochemistry and kinetics for main-group elements. Zhao, Y.; Truhlar, D. G. Acc. Chem. Res. 2008, 41, 157-167.
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0037061943
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-1) was found for the rotation of a single phenyl ring in trans-stilbene and its 4,4′-disubstituted derivatives. Arp, Z.; Chiang, W.-Y.; Laane, J.; Sakamoto, A.; Tasumi, M. J. Phys. Chem. A 2002, 106, 3479-3484.
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-1) was found for the rotation of a single phenyl ring in trans-stilbene and its 4,4′-disubstituted derivatives. Arp, Z.; Chiang, W.-Y.; Laane, J.; Sakamoto, A.; Tasumi, M. J. Phys. Chem. A 2002, 106, 3479-3484.
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59849101327
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8.
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8.
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21
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59849095309
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The quantum yields for the trans-1 → cis-1 and cis-1 → trans-1 photoisomerization in dichloromethane are 0.17 and 0.21, respectively.
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The quantum yields for the trans-1 → cis-1 and cis-1 → trans-1 photoisomerization in dichloromethane are 0.17 and 0.21, respectively.
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22
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33746069181
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-1 for the energy difference between the cis and trans isomers), see: (a) Meier, H. Angew. Chem., Int. Ed. 1992, 31, 1399-1420.
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-1 for the energy difference between the cis and trans isomers), see: (a) Meier, H. Angew. Chem., Int. Ed. 1992, 31, 1399-1420.
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0037085211
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