π-stacking in dimers of phenalenyl represents the prototypical pancake bonding between radicals. This type of π-stacking aggregate is a key structural motif in conducting organic and multifunctional materials. It is driven by the bonding combination of the singly occupied molecular orbitals (SOMOs) of the monomers resulting in π-stacking contacts that are significantly shorter than the sum of t...

The aggregation of polypeptides into amyloid fibrils is associated with a number of human diseases. Because these fibrils--or intermediates on the aggregation pathway--play important roles in the etiology of disease, considerable effort has been expended to understand which features of the amino acid sequence promote aggregation. One feature suspected to direct aggregation is the π-stacking of ...

Multilayer dye aggregation at the dye/TiO2 interface of dye-sensitized solar cells is probed via first principles calculations, using p-methyl red azo dye as an example. Our calculations suggest that the multilayer dye aggregates at the TiO2 surface can be stabilized by π…π stacking and hydrogen bond interactions. Compared with previous two-dimensional monolayer dye/TiO2 model, the multilayer d...

Aromatic π-π stacking inter-actions stabilize the crystal structure of the title compound, C(10)H(12)N(2)O(3), the perpendic-ular distance between parallel planes being 3.7721 (8) Å. The morpholine ring adopts a chair comformation.

A chemical-responsive bis(m-phenylene)-32-crown-10/2,7-diazapyrenium salt [2]pseudorotaxane was prepared. It was found to form a supramolecular poly[2]pseudorotaxane in the solid state driven by π-π stacking interactions.

The asymmetric unit of the title compound, C(14)H(11)NS, contains two mol-ecules in which the dihedral angles between the phenyl rings are 77.23 (7) and 86.30 (7)°. No aromatic π-π stacking inter-actions are observed.

In the title compound, C(20)H(21)NO(6), an N-oxide-based organocatalyst, the N-containing six-membered ring adopts a twisted half-chair conformation. No hydrogen bonding or π-π stacking was found within the crystal structure.

Highly-ordered, hydrated adenine multilayer films grown on the surface of highly-oriented pyrolytic graphite, HOPG(0001), display extended electronic states, affording anisotropic band-like charge transport along the π-π stacking direction.

Chiral diporphyrin receptor 1, which has a macrocyclic cavity to sandwich aromatic guest molecules via double π-π stacking interactions, enabled the naked-eye detection of an aromatic explosive as well as chiral discrimination in NMR.