Antiaromaticity affects on the response of single walled armchair carbon nanotube to tension

Antiaromaticity of six-membered rings of a single-walled armchair carbon nanotube (SWACNT) and topological properties of electron density at ring critical points (RCPs) and central axis were calculated in order to study unusual structural and energetic changes along tension. Relative changes in nucleus-independent chemical shifts (NICS) and electron densities at RCPs are in a good agreement with unusual structural and energetic changes. The power of CNT to rearrange the structure and decrease the ring antiaromaticity makes it possible to reduce the energy and endure more strain before fracture.