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Updated: Aug 15, 2026

Functionalization of Single-walled Carbon Nanotubes with Thermo-reversible Block Copolymers and Characterization by Small-angle Neutron Scattering
Published on: June 1, 2016
Carbon nanotube inner phase chemistry: the Cl- exchange SN2 reaction
Mathew D Halls1, Krishnan Raghavachari
1Department of Chemistry, Indiana University, Bloomington, IN 47405-7102, USA.
Abstract:
Density functional calculations have been carried out to investigate the nature of the inner phase of a (6,6) carbon nanotube, using the Cl(-) exchange S(N)2 reaction as an indicator. Inside the carbon nanotube the classical barrier height increases by 6.6 kcal/mol due to the nanotube polarizability. This suggests that the inner phase environment can be considered a form of solid solvation, offering the possibility of obtaining altered guest properties and reactivity through dielectric stabilization.
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