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1 article(s) from Willis, Peter G

Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines

Sihui Long,
Venkatraj Muthusamy,
Peter G. Willis,
Sean Parkin and
Arthur Cammers

Beilstein J. Org. Chem. 2008, 4, No. 23, doi:10.3762/bjoc.4.23

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Graphical Abstract

Figure 1: 1: An intuitive prediction regarding the relationship between crude hydrogen bond donor/acceptor di...

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Figure 2: Facile syntheses of imidazole carboxamidines from commercial imidazoles and carbodiimides furnished...

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Figure 3: The NCNC dihedral angle, θ, between the hydrogen bond donors and acceptors, was assigned values bet...

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Figure 4: Stereoview of Dimer 5c. This dimer stacked imidazole rings with R¹ pointing in opposite directions.

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Figure 5: Stereoview of trimer 6b.

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Figure 6: Stereoview of tetramer 9a.

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Figure 7: Stereoview of linear hydrogen bond tape 11a.

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Figure 8: The calculated (rhf/6-311+g(d,p)) potential energy (kcal/mol) of N,N'-dimethyl-1H-imidazole-1-carbo...

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Figure 9: A Flow chart for the calculation of the energies of the n-mers minus the effects of packing and sub...

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Figure 10: Icons correspond to those in Figure 8. Crosses indicate structures with aromatic groups. The calculated (rh...

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Figure 11: The icon legend is identical to Figure 8 and Figure 10. The Y-axis from Figure 8 energies (θ only) and the X-axis from Figure 10 ener...

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Published 07 Jul 2008

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