1-Butyl-3-methylimidazolium hexafluorophosphate ([C4MIM][PF6])/DNA and 1-methyl-3-propylimidazolium hexafluorophosphate ([C3MIM][PF6])/DNA mixtures were prepared and characterized by high-pressure infrared spectroscopy. Under ambient pressure, the imidazolium C2–H and C4,5–H absorption bands of [C4MIM][PF6]/DNA mixture were red-shifted in comparison with those of pure [C4MIM][PF6]. This indicates that the C2–H and C4,5–H groups may have certain interactions with DNA that assist in the formation of the ionic liquid/DNA association. With the increase of pressure from ambient to 2.5 GPa, the C2–H and C4,5–H absorption bands of pure [C4MIM][PF6] displayed significant blue shifts. On the other hand, the imidazolium C–H absorption bands of [C4MIM][PF6]/DNA showed smaller frequency shift upon compression. This indicates that the associated [C4MIM][PF6]/DNA conformation may be stable under pressures up to 2.5 GPa. Under ambient pressure, the imidazolium C2–H and C4,5–H absorption bands of [C3MIM][PF6]/DNA mixture displayed negligible shifts in frequency compared with those of pure [C3MIM][PF6]. The pressure-dependent spectra of [C3MIM][PF6]/DNA mixture revealed spectral features similar to those of pure [C3MIM][PF6]. Our results indicate that the associated structures of [C4MIM][PF6]/DNA are more stable than those of [C3MIM][PF6]/DNA under high pressures.

Electrochemical partial oxidation of hydrocarbons to value-added products using electricity from renewable energy resources has the potential to change the way that commodity chemicals are manufactured. In this study, we used density functional theory calculations combined with a constant electrode potential model to study the previously reported ethylene partial electro-oxidation to epoxide on RuO2(110) in an aqueous solution containing [Cl–] = 0.3 M. We found that the high selectivity toward epoxide is due to the in situ generated *OCClO* intermediate that blocks parts of the surface and leads to isolation of *O (surface adsorbed oxygen) active sites. This step turns off the pathways to over-oxidation and drives the reaction toward epoxide formation. The reaction mechanisms for ethylene over-oxidation and partial oxidation are proposed. Our theoretical study unveiled a dynamic and unique means to achieve active site isolation that can be used to improve selectivity of hydrocarbon partial electro-oxidation.

In the search for efficient and inexpensive electrocatalysts for the hydrogen evolution reaction (HER), the hydrogen binding energy (ΔG*H) is often used as a descriptor to represent the catalytic activity....

This investigation demonstrates that a series of (highly) substituted acephenanthrylenes (APs) 2, benzo[l]acephenanthrylene 3, and dicyclopenta[cd,mn]pyrene 4 are easily prepared by palladium-catalyzed cycloaromatization of 2,3-diethynylbiphenyls 1. The first nonpyrolysis synthesis of 4 by two-fold cycloaromatization was achieved in a high yield. This synthetic protocol has two crucial advantages: facile introduction of various substituents and efficient extension of the AP backbone.