Dehydroannulenes are a fascinating class of carbon-rich molecules which have been studied intensively.[1] With the development of improved synthetic methodologies, these macrocycles are now being exploited for their potential material properties. Recent applications employ such annulenes as conjugated scaffolds for nonlinear optical applications[2] and as precursors for carbon nanotube synthesi...

Abstract Noncovalent interactions are an integral part of the modern catalysis toolbox. Although stronger noncovalent such as hydrogen bonding commonly main driving force catalysis, π–π typically provide smaller additional stabilizations, for example, to afford selectivity enhancements. Here, it is shown computationally that pristine graphene flakes may efficiently catalyze skeletal inversions ...

We study molecular transistors where graphene nanoribbons act as three metallic electrodes connected to a ring-shaped 18-annulene molecule. Using the nonequilibrium Green function formalism combined with density functional theory, recently extended to multiterminal devices, we show that these nanostructures exhibit exponentially small transmission when the source and drain electrodes are attach...

Two-dimensional supramolecular chirality is often achieved by confining molecules against a solid surface. The sergeants-soldiers principle is a popular strategy to fabricate chiral surfaces using predominantly achiral molecules. In this method, achiral molecules (the soldiers) are forced to assemble in a chiral fashion by mixing them with a small percentage of structurally similar chiral molec...