SERS: A new method for the study of electronic structure in ultrasmall particles

Earlier work suggested that surface enhanced Raman scattering arises from off-diagonal coupling of excitations in the molecule and substrate. Using a free-electron model for a metallic substrate, large enhancements are confirmed, and insight gained about the effects of (1) substrate size, (2) molecular location, (3) density of states, and (4) excitation wavelength. Structured SERS and anti-enhancements occur under suitable conditions.     

Mesoporous aluminosilicate promoted alcoholysis of epoxides

Mesoporous aluminosilicates efficiently catalyze the ring-opening of epoxides with a range of alcohols to give the corresponding β-alkoxyalcohols in high yields under extremely mild conditions and in short reaction times.     

Iodide Recognition and Sensing in Water by a Halogen‐Bonding Ruthenium(II)‐Based Rotaxane

The synthesis and anion‐recognition properties of the first halogen‐bonding rotaxane host to sense anions in water is described. The rotaxane features a halogen‐bonding axle component, which is stoppered with water‐solubilizing permethylated β‐cyclodextrin motifs, and a luminescent tris(bipyridine)ruthenium(II)‐based macrocycle component. ¹H NMR anion‐binding titrations in D₂O reveal the halogen‐bonding rotaxane to bind iodide with high affinity and with selectively over the smaller halide anions and sulfate. The binding affinity trend was explained through molecular dynamics simulations and free‐energy calculations. Photo‐physical investigations demonstrate the ability of the interlocked halogen‐bonding host to sense iodide in water, through enhancement of the macrocycle component’s Ru^II metal–ligand charge transfer (MLCT) emission.     

Domination number of catacondensed hexagonal systems

Journal of Mathematical Chemistry - In this paper we answer all the conjectures about the domination number of a catacondensed hexagonal system given in Automated Conjecturing VI: Domination Number...