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Fig. 16.7 The image N DA maps and the equilibrium structures of the naked (5, 5) NGr molecule
in the course of the first stage zigzag-mode tensile deformation. The black and white figures number
steps and equalizing coefficients, respectively. The same intensity scale is related to all the maps
Fig. 16.8 The histograms of the N DA distribution over the atoms of the naked (5, 5) NGr molecule
related to the non-deformed (light) and the 16th step-deformed (dark) zigzag-mode tensile deformation. The curve plots the presented values ratio when n = 16
As was previously mentioned [29, 30], per step elongation (stretching) of the
C–C bonds under the armchair- and zigzag-mode tension is quite different from
the geometrical viewpoint. Evidently, this might explain the difference in the N DA
values related to the same step of both modes but cannot explain why the character
of the redistribution for the two modes is completely different thus attributing the
difference to the topological nature of the considered mechanochemical reaction.