p Matching Enables Quantum Proton Delocalization in Acid-1-Methylimidazole Binary Mixtures.

Short hydrogen bonds (SHBs), characterized by donor-acceptor heteroatom separations below 2.7 Å, are prevalent in condensed-phase systems. Recently, we identified SHBs in nonaqueous binary mixtures of acetic acid and 1-methylimidazole (MIm), where electronic and nuclear quantum effects facilitate extensive proton delocalization.

A new method based on pseudo-Zernike polynomials to analyze and extract dynamical and spectral information from the 2DIR spectra.

Ultrafast two-dimensional infrared (2DIR) spectroscopy is a relatively new methodology, which has now been widely used to study the molecular structure and dynamics of molecular processes occurring in solution. Typically, in 2DIR spectroscopy the dynamics of a system is inferred from the evolution of 2DIR spectral features over waiting times. One of the most important metrics derived from the 2DIR is the frequency-frequency correlation function (FFCF), which can be extracted using different methods, including center and nodal line slope.

Relation between microscopic structure and macroscopic properties in polyacrylonitrile-based lithium-ion polymer gel electrolytes.

Polymer gel electrolytes (PGE) have seen a renewed interest in their development because they have high ionic conductivities but low electrochemical degradation and flammability. PGEs are formed by mixing a liquid lithium-ion electrolyte with a polymer at a sufficiently large concentration to form a gel. PGEs have been extensively studied, but the direct connection between their microscopic structure and macroscopic properties remains controversial.