TY - GEN
T1 - Theoretical investigations of intermolecular interactions involving π-systems and their utility in the design of novel functional nanomaterials
AU - Tarakeshwar, P.
AU - Kim, Kwang S.
PY - 2003/12/1
Y1 - 2003/12/1
N2 - 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.
AB - 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.
KW - Energy decomposition
KW - Functional nanosystems
KW - Intermolecular interactions
KW - Nanomaterial design
KW - π systems
UR - http://www.scopus.com/inward/record.url?scp=6344287743&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=6344287743&partnerID=8YFLogxK
M3 - Conference contribution
AN - SCOPUS:6344287743
SN - 0972842209
T3 - 2003 Nanotechnology Conference and Trade Show - Nanotech 2003
SP - 508
EP - 511
BT - 2003 Nanotechnology Conference and Trade Show - Nanotech 2003
A2 - Laudon, M.
A2 - Romanowicz, B.
T2 - 2003 Nanotechnology Conference and Trade Show - Nanotech 2003
Y2 - 23 February 2003 through 27 February 2003
ER -