Theoretical investigations of intermolecular interactions involving π-systems and their utility in the design of novel functional nanomaterials

P. Tarakeshwar, Kwang S. Kim

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The design and development of novel functional nanomaterials has drawn intense interest because of their potential applications in electronics, physics, chemistry, biology, and medicine. An effective design strategy requires a thorough understanding of various interaction forces and mechanisms which prevail in such small dimensions. The wide manifestation of π systems in broad classes of nanomaterials ranging from organic polymers to fullerenes implies that a fundamental understanding of these intermolecular interactions from both theoretical and experimental perspectives would be of value. The present work initially details our efforts to theoretically investigate the characteristics of the interaction of these π systems (olefinic, aromatic, and fullerenes) with a wide range of countermolecules ranging from single atoms to rare gases to elemental hydrides to cations to Lewis acids. The information obtained from these theoretical investigations was then employed in the design of aesthetically appealing and functionally useful ionophores and organic nanotubes, The synthesis and characterization of the latter revealed the presence of infinitely long one-dimensional H-bond arrays. The relevance of these one-dimensional H-bond arrays in both material science and biology and the utility of this design strategy in developing functional nanosystems would also be discussed.

Original languageEnglish (US)
Title of host publication2003 Nanotechnology Conference and Trade Show - Nanotech 2003
EditorsM. Laudon, B. Romanowicz
Pages508-511
Number of pages4
StatePublished - Dec 1 2003
Externally publishedYes
Event2003 Nanotechnology Conference and Trade Show - Nanotech 2003 - San Francisco, CA, United States
Duration: Feb 23 2003Feb 27 2003

Publication series

Name2003 Nanotechnology Conference and Trade Show - Nanotech 2003
Volume3

Other

Other2003 Nanotechnology Conference and Trade Show - Nanotech 2003
CountryUnited States
CitySan Francisco, CA
Period2/23/032/27/03

Keywords

  • Energy decomposition
  • Functional nanosystems
  • Intermolecular interactions
  • Nanomaterial design
  • π systems

ASJC Scopus subject areas

  • Engineering(all)

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  • Cite this

    Tarakeshwar, P., & Kim, K. S. (2003). Theoretical investigations of intermolecular interactions involving π-systems and their utility in the design of novel functional nanomaterials. In M. Laudon, & B. Romanowicz (Eds.), 2003 Nanotechnology Conference and Trade Show - Nanotech 2003 (pp. 508-511). (2003 Nanotechnology Conference and Trade Show - Nanotech 2003; Vol. 3).