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The 1,3-dipolar cycloadditions of azomethine ylide and carbonyl ylide to models of graphene have been investigated with density functional theory. Reaction energetics have been obtained and show that edge areas of graphene are much more favourable reaction sites than the centre sites. Azomethine ylide cannot directly react at the centre area, while carbonyl ylides are promising reagents for functionalization of graphene. The influence of some 1,3-dipole substituents is also evaluated. [ABSTRACT FROM AUTHOR]

Computational and experimental studies have been performed to investigate the photostability of a series of 6,13-bis(arylalkynyl)-substituted pentacenes in the presence of oxygen. These studies indicate that photostabilization occurs through a selective LUMO orbital stabilization as has been seen previously for 6,13-bis(triisopropylsilylethynyl)pentacene. Marcus theory analysis suggests that the difference in vibrational reorganization energies across all compounds is small and that the thermodynamic driving force for forward electron transfer is primarily responsible for the observed photostabilization. [ABSTRACT FROM AUTHOR]