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Internet Electronic Journal of Molecular Design - IEJMD, ISSN 1538-6414, CODEN IEJMAT
| ABSTRACT - Internet Electron. J. Mol. Des. August 2004, Volume 3, Number 8, 514-527 |
Periodic Table of Carbon Nanotubes Based on the Chiral Vector
Francisco Torrens
Internet Electron. J. Mol. Des. 2004, 3, 514-527
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Abstract:
The periodic table (PT) of the elements suggests that hydrogen
could be the origin of everything. The construction principle is
an evolutionary process that is formally similar to those of
Darwin and Oparin. The PT of fullerenes suggests that C60
could be the origin of fullerenes and C30 could be considered as
the element zero of such a PT. The elementary polarizabilty per
atom <α> is calculated with the interacting induced-dipole
polarization model implemented in program PAPID. The
polarizabilty <α> of single-wall carbon nanotubes (SWNT) is
related to the indices (n,m) designating the chiral vector.
SWNTs are classified in zigzag (n,0), armchair (n,n) and chiral
(n,m). The <α> allows classifying SWNTs according to the
chiral vector indices (n,m). A format is recommended for the
PT of SWNTs. The periodic law has not the rank of the laws of
physics. (1) The properties of SWNTs are not repeated. (2) The
order relationships show exceptions. The proposed statement
is: The relationships that any SWNT (n,m) has with its
neighbour (n-1,m+1) are approximately repeated for each
period. Semifullerenes could be the origin of SWNTs and they
could be considered as the element zero of the PT. The
correlation between <α> and
(n2+nm+m2)1/2 shows that the
vector indices (n,m) are adequate. The most interesting
combination is (n2+nm+m2)1/2.
The (10,10) presents a
consistency between a relatively small <α> and great kinetic
stability. The original software used in the investigation is
available from the author.
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