High-resolution vibrational spectra of C–H, O–H, and N–H stretches depend on both
molecular conformation and environment as well as provide a window into the frequencies …

The rates of many chemical reactions are accelerated when carried out in micron-sized
droplets, but the molecular origin of the rate acceleration remains unclear. One example is …

We report vibrational spectra of the H 2-tagged, cryogenically cooled X−· HOCl (X= Cl, Br,
and I) ion–molecule complexes and analyze the resulting band patterns with electronic …

An approach for identifying resonances in vibrational perturbation theory calculations is
introduced. This approach makes use of the corrections to the wave functions that are …

The oxidation of the amino acid methionine (Met) by hypochlorous acid (HOCl) to yield
methionine sulfoxide (MetO) has been implicated in both the interfacial chemistry of …

The formation of isomers when trap** floppy cluster ions in a temperature-controlled ion
trap is a generally observed phenomenon. This involves collisional quenching of the ions …

4-aminobenzoic acid (4ABA) is a model scaffold for studying solvent-mediated proton
transfer. Although protonation at the carboxylic group (O-protomer) is energetically favored …

The highly reactive dihalogens play a significant role in the oxidative chemistry of the
troposphere. One of the main reservoirs of these halogens is hypohalous acids, HOX, which …

Hydrogen bonding and halogen bonding are important non‐covalent interactions that are
known to occur in large molecular systems, such as in proteins and crystal structures …

The goal of this thesis is to explore the critical role played by water molecules in the proton
migration between two spectroscopically distinct protonation sites adopted by 4 …