[seqfan] Giving a mathematical definition to A280001
Natan Consigli
origami.experience at gmail.com
Wed Feb 1 05:57:27 CET 2017
Dear Seqfans,
I am trying to define A280001 mathematically with graph theory. To let
the sequence be less "obscure" I have to define what does chemical
aromaticity mean.
Here is what I did so far.
As far as being a hydrocarbon I am looking for a connected multigraph
(non looped for some authors) where each node has degree less than
five (octet rule).
For the condition of being aromatic I need a connected subset of nodes
that satisfies Huckel's rule. This means that such subset must have
the following:
1) an alternating connection 1-edge/2-edge vertices (conjugated pi system);
2) the number of 2-edge connections must be odd (4n+2 pi electrons);
3) the subset of nodes must represent a chemically planar portion of
the molecule.
I find stating rule 3 in a mathematical way very hard to do. If
anybody has ideas I would appreciate your help.
Natan Consigli
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