Isolation of site-specific anharmonicities of individual water molecules in the I−·(H2O)2 complex using tag-free, isotopomer selective IR-IR double resonance

Cryogenic ion trap vibrational spectroscopy of the microhydrated sulfate dianions SO42−(H2O)3−8

“…This is a direct result of the stronger ion-water interactions in microhydrated sulfate dianions, which leads to marked coupling of the OH oscillators with low frequency modes, in particular, of isolated DD-H 2 O molecules, 66,67 but also of water molecules that are part of larger HBed networks. 68,69 Moreover, the water bending features are found at higher frequencies compared to the corresponding bands in the spectra of hydrated perchlorate anions (1650 to 1680 cm −1 ). 65 It is also interesting to compare the evolution of the antisymmetric stretch frequencies ν AS of the tetrahedral core with the degree of microhydration.…”

Evaluation of Common Theoretical Methods for Predicting Infrared Multiphotonic Dissociation Vibrational Spectra of Intramolecular Hydrogen-Bonded Ions

“…19,20 The coupling of MS with vibrational spectroscopy has been employed in the evaluation of protonation and coordination sites and conformational equilibrium of gaseous ions of biomolecules such as vitamins, 21 amino acids, 22−24 and carbohydrates, 25 many other chemical systems such as organometallic compounds, 26 and a myriad of other organic 27−29 and inorganic molecules. 30,31…”

Specific Ion Effects on Hydrogen-Bond Rearrangements in the Halide–Dihydrate Complexes

“…Ion–water clusters are ideal systems to validate the ability of molecular models to characterize the molecular mechanisms associated with hydrogen-bonding (H-bonding) rearrangements, since, due to their relatively small sizes, they are amenable to high-level molecular modeling ,− and, at the same time, can be studied experimentally using high-resolution vibrational spectroscopy. − In this context, halide dihydrates hold a special place since they are the smallest complexes in which two water molecules can be simultaneously H-bonded to each other and to the ion, thus allowing for directly probing the interplay between ion–water and water–water interactions.…”