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0242705731
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note
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Calculations were performed on systems identical with the experimental oligomers except for end groups and side chains. Methyl side chains were used in place of the experimental tetraglycol.
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24
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0035528860
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31
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0242453132
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note
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The C2 symmetry equates the stacked form ACEA′C′E′ with BDFB′D′F′. There are two alternating forms, one with substituents at ACEB′D′F′ (which we arbitrarily called Alt1), and one with substiutents at BDFA′C′E′ (Alt2). The oPE helix naturally adopts an offset stack geometry in which the center of a ring in one layer is approximately 1.5 Å off the center of a ring in the subsequent layer. This asymmetry causes the interaction between A and B′ to be different from that between A′ and B. In the Alt1 helix, the substituents should be closer together than in the Alt2 helix.
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33
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0001000382
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Seebach, D.4
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0242705732
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note
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Calculation of dipole moments of representative monomers shows that the dipole moments roughly parallel the carbonyl bond in esters, and the aliphatic C-O bond in the ethers. Dipole calculations are provided in the Supporting Information.
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0242621569
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Supporting Information
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Supporting Information
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