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 Home > Only@JCE Online > Features > Featured Molecules > 2004 >
Featured Molecules December 2004

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Nanoscale Molecular Tweezers

The featured molecules for this month are drawn from the “Research Advances” column by Angela G. King, and represent some of the structures from the research on molecular tweezers (published in J. Am. Chem. Soc. 2004, 126, 8124). The structures below are based on the figure on page 1690 showing two types of receptors that switch between U and W shapes upon coordination of soft metal cations, acting in the manner of mechanical tweezers.

When viewing these molecules in Chime you must render in ball and stick or space filling modes in order to see the incorporated metal ions. In several cases the torsion angles connecting the anthracene substituents to the rest of the molecule are not well defined and have been drawn as either coplanar or orthogonal to the central ring system. At a moderate level of theory, the torsion angle in those instances where it has been set to 90° displays a broad minimum ranging for 50–130°.

In addition to the static image, two fully manipulable versions (Jmol, MDLChime) of these molecules appear below. (The Jmol versions may take a few extra seconds to load, based on the speed of your Internet connection.)


Py-Pym-Py Receptors

Image of molecule.

Figure 1. Pyridine–pyrimidine–pyridine (U shaped).
Interactive Chime-based structure (top); static structure graphic (bottom).

 

Image of molecule.

Figure 2. Pyridine–pyrimidine–pyridine
(transition from U shaped to W shaped).
Interactive Chime-based structure (top); static structure graphic (bottom).

 

Image of molecule.

Figure 3. Pyridine–pyrimidine–pyridine (W shaped).
Interactive Chime-based structure (top); static structure graphic (bottom).

Acr2 Receptors

Image of molecule.

Figure 4. WAcr2 (W shaped). Interactive Chime-based structure (top); static structure graphic (bottom).

Image of molecule.

Figure 5. UAcr2 (U shaped). Interactive Chime-based structure (top); static structure graphic (bottom).

(CONHAnt)2 Receptors

Image of molecule.

Figure 6. W(CONHAnt)2 (W shaped). Interactive Chime-based structure (top); static structure graphic (bottom).

Image of molecule.

Figure 7. U(CONHAnt)2 (U shaped). Interactive Chime-based structure (top); static structure graphic (bottom).

Substrates

Image of molecule.

Figure 8. TNF. Interactive Chime-based structure (top); static structure graphic (bottom).

Image of molecule.

Figure 9. TCNQ. Interactive Chime-based structure (top); static structure graphic (bottom).

 

Image of molecule.

Figure 10. 1,10-Phenanthroline (phen).
Interactive Chime-based structure (top); static structure graphic (bottom).

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