Origins of elasticity in molecular materials.

Elasticity is ubiquitous and produces a spontaneously reversible response to applied stress. Despite the utility and importance of this property in regard to scientific and engineering applications, the atomic-scale location of the force that returns an object to its original shape remains elusive in molecular crystals. Here we use a series of density functional theory calculations to locate precisely where the energy is stored when single crystals of three molecular materials are placed under elastic stress.

Macromolecular Function Emerging from Intramolecular Peptide Stapling of Synthetic Polymers.

Protein function results from the precise folding of polypeptides into bespoke architectures. Taking inspiration from nature, the field of single-chain nanoparticles (SCNPs), intramolecularly crosslinked synthetic polymers, emerged. In contrast to nature, the function of SCNPs is generally defined by the parent polymer or the applied crosslinker, rather than by the crosslinking process itself.

Thermal Jahn-Teller Distortion Changes and Slow Relaxation of Magnetization in Mn(III) Schiff Base Complexes.

The impact that the anion and alkyl group has on the electronic structures and magnetic properties of four mononuclear Mn(III) complexes is explored in [Mn(salEen-Br)]Y (salEen-Br = 2-{[2-(ethylamino)ethylimino]methyl}-4-Br-phenol; Y = ClO and BF·1/3CHCl ) and [Mn(salBzen-Br)]Y (salBzen-Br = 2-{[2-(benzylamino)ethylimino]methyl}-4-Br-phenol; Y = ClO and BF ). X-ray structures of [Mn(salEen-Br)]ClO·0.45CH , [Mn(salEen-Br)]BF·0.

Self-assembled Co(II) and Co(III) [ML] helicates and [ML] tetrahedra from an unsymmetrical quaterpyridine ligand.

In order to bind guest molecules with exquisite selectivity, biological host molecules often employ low symmetry binding pockets. The majority of metallosupramolecular assemblies, however, rely on symmetrical ligands to form high-symmetry assemblies that enclosing similarly symmetrical cavities. Here we employ an unsymmetrical quaterpyridine ligand in combination with cobalt(II) to form a mixture of low-symmetry [ML] helicates and [ML] tetrahedra and their subsequent oxidation to Co(III)-containing assemblies.

Exclusive Coordination between Melem and Silver(I) Ions: From Irregular Aggregates to Nanofibers to Crystal Cubes.

There is growing focus on metal-free molecules and polymers owing to their potential applications in various energy and catalysis-related applications. Melem (2,5,8-triamino--heptazine, CHN) has emerged as a metal-free material for solar-to-fuel conversion. However, its reactivity with metal ions or organic molecules has never been reported although it possesses multiple supramolecular interaction sites.