Structure of carbinoid nanotubes and carbinofullerenes

Abstract

Molecular mechanics methods have been used to calculate the geometrically optimized structure of carbinoid layers, carbinoid nanotubes, and carbinofullerenes consisting of carbine chains linked by atoms in sp2 and/or sp3 hybridization states. Energy characteristics of carbinoid nanostructures have been calculated by semi-empirical quantum-mechanical methods. A structural classification of framework carbinoid nanostructures has been proposed. The dependence of specific binding energies of carbinoid nanostructures on the ratio sp2/sp and their geometrical sizes has been determined.