Molecular zippers - Designing a supramolecular system

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Abstract

We report here the first phase in the rational design of a versatile hydrogen-bonded supramolecular 'zipper', by creating a molecular 'tool box'. These are novel structures that are predicted to undergo self-assembled and to form stable 'zippers', which should be amendable to molecular manipulations that change the physical properties of the supramolecule, while preserving the three-dimensional structure. We emphasize design rationale, including examples, and also demonstrate the importance of using highly accurate computational methods in molecular design.

Original languageEnglish
Pages (from-to)291-296
Number of pages6
JournalChemical Physics Letters
Volume392
Issue number4-6
DOIs
Publication statusPublished - Jul 11 2004

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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