We report a joint experimental–theoretical study of the never reported before structure and
infrared spectra of gas phase monohydrated nicotine (NIC) and nornicotine (NOR) and use …

Para-Aminobenzoic acid (PABA) is a benchmark molecule to study solvent-induced proton
site switching. Protonation of the carboxy and amino groups of PABA generates O-and N …

The switching of the protonation sites in hydrated nicotine, probed by experimental infrared
(IR) spectroscopy and theoretical ab initio calculations, is facilitated via a Grotthuss instead …

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 …

Proton transfer (PT) is one of the most ubiquitous reactions in chemistry and life science. The
unique nature of PT has been rationalized not by the transport of a solvated proton (vehicle …

Interfacial interactions of protonated water clusters adsorbed at aromatic surfaces play an
important role in biology, and in atmospheric, chemical and materials sciences. Here, we …

The geometry of biomolecules isolated in the gas phase usually differs substantially from
their native structures in aqueous solution, which are the only ones truly relevant to life …

The gas phase protonation sites of six naturally occurring nicotinoids, namely nicotine (NIC),
nornicotine (NOR), anabasine (ANB), anatabine (ANT), cotinine (COT), and myosmine …

To scrutinise the impact of electric fields on the structure and vibrations of biomolecules in
the presence of water, we study the sequential solvation of lithium diglycine up to three …

Solvation of pharmaceutical drugs has an important effect on their structure and function.
Analysis of infrared photodissociation spectra of amantadineH+ (H2O) n= 1–4 clusters in the …