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| 2. |
- Isare, B., et al.
(författare)
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Engineering the cavity of self-assembled dynamic nanotubes
- 2009
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Ingår i: Journal of Physical Chemistry B. - : American Chemical Society (ACS). - 1520-6106 .- 1520-5207. ; 113:11, s. 3360-3364
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Tidskriftsartikel (refereegranskat)abstract
- By analogy with hydrogen-bonded molecular capsules, self-assembled nanotubes are of interest because they can temporarily isolate guest molecules from the solution. We show here that the stability of a particular bis-urea based dynamic self-assembled nanotube is related to the possibility for solvent molecules to fit inside the tubular cavity. The diameter of the cavity can be finely tuned by introducing a modified monomer in controlled amount.
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| 3. |
- Linares, Mathieu, et al.
(författare)
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Expression of chirality in molecular layers at surfaces : Insights from modelling
- 2009
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Ingår i: Chemical Society Reviews. - : Royal Society of Chemistry (RSC). - 0306-0012 .- 1460-4744. ; 38:3, s. 806-816
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Tidskriftsartikel (refereegranskat)abstract
- This tutorial review illustrates how modelling can be used to understand the structure and properties of chiral surfaces formed by adsorption of molecular layers. The two major theoretical approaches for such modelling (Density Functional Theory and classical force-field methods) are briefly described and compared. A few examples of their use are given, focussing on: (i) the expression of chirality at the local and global scale in layers of chiral molecules, (ii) the appearance of chirality in layers of achiral molecules on achiral surfaces, and (iii) the molecular organisation in layers formed from racemic mixtures.
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| 4. |
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| 5. |
- Vonau, F, et al.
(författare)
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Branched Substituents Generate Improved Supramolecular Ordering in Physisorbed Molecular Assemblies
- 2009
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Ingår i: JOURNAL OF PHYSICAL CHEMISTRY C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 113:12, s. 4955-4959
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Tidskriftsartikel (refereegranskat)abstract
- We present an experimental study supported by molecular simulations of the influence of the shape of alkyl side groups on the interactions and self-organization of supramolecular assemblies, built from bis-ureasubstituted toluene molecules deposited on Au(111) surfaces. In particular, we demonstrate the crucial importance of the presence of branched alkyl groups (i.e., ethylhexyl) that allow two adjacent supramolecular polymers to arrange closer to each other, leading to the formation of molecular "zippers". Thus, steric constraints at the level of individual molecules can generate improved Ordering between neighboring supramolecular polymers interacting with a planar substrate.
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