Nanosoldering of thia-cucurbituril macrocycles with transition metals affords novel tubular nanostructures: A computational study

Research output: Contribution to journalArticlepeer-review

26 Citations (Scopus)

Abstract

With the aid of quantum chemistry calculations we have designed a novel class of tubular nanostructures obtained from the nanoscale soldering of thia-cucurbituril (thia-CB) macrocycles with transition metal ions (Hg 2+, Pd2+, and Pt2+). An analysis of the frontier orbitals indicates that the growth of the nanotube is likely to start at one side only. Furthermore, a supramolecular strategy for the synthesis of thia-CB nanotubes of a desired molecular length is proposed. These novel metal-containing nanostructures might be employed as molecular wires in nanoelectronics.

Original languageEnglish
Pages (from-to)252-256
Number of pages5
JournalChemical Physics Letters
Volume403
Issue number4-6
DOIs
Publication statusPublished - 2005 Feb 25

ASJC Scopus subject areas

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

Fingerprint Dive into the research topics of 'Nanosoldering of thia-cucurbituril macrocycles with transition metals affords novel tubular nanostructures: A computational study'. Together they form a unique fingerprint.

Cite this