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author:

Li, Junqian (Li, Junqian.) [1] | Jia, Guixiao (Jia, Guixiao.) [2] | Zhang, Yongfan (Zhang, Yongfan.) [3] (Scholars:章永凡)

Indexed by:

EI Scopus SCIE

Abstract:

The directional-curvature theory is developed as a rational basis for the strain energy and the chemical reactivity in single-walled carbon nanotubes (SWCNTs) and fullerenes. The directional curvature K-D and its mean K-M, derived from this theory, cover the overall curvatures of their bonds and atoms and break through the limitations of the pyramidalized-angle theta(p) approach, which is only available to atomic curvature. The directional-curvature theory demonstrates that K-D and K, depend directly on the strain or reactive binding energies of the bonds and atoms and that there is approximate curvature conservation inSWCNTs and fullerenes. Application of this theory to addition reactions of various SWCNTs and fullerenes shows that the slope of the straight line between the strain or binding energies and K-D is close to a constant, which helps clarify the puzzle as to why some functionalizations of C-70 occur at the relatively flat midsection.

Keyword:

anisotropy fullerenes nanotubes reaction mechanisms reactivity strain energy

Community:

  • [ 1 ] Fuzhou Univ, Dept Chem, Fuzhou 350002, Fujian, Peoples R China
  • [ 2 ] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China

Reprint 's Address:

  • 李俊钱

    [Li, Junqian]Fuzhou Univ, Dept Chem, Fuzhou 350002, Fujian, Peoples R China

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Source :

CHEMISTRY-A EUROPEAN JOURNAL

ISSN: 0947-6539

Year: 2007

Issue: 22

Volume: 13

Page: 6430-6436

5 . 3 3

JCR@2007

3 . 9 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

JCR Journal Grade:1

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count: 23

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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