The interplay of hydrogen bonding in gaseous clusters is investigated here by infrared photodissociation (IRPD) spectroscopy, ab initio electronic structure theory and DFT molecular dynamics. Here, the observed vibrational spectra of X–(H2O)n clusters reveal anharmonic and dynamic features and are aided in assignment by quantum chemical computations. The hydrogen bonded network is explored by microhydration in the gas phase and the excellent agreement between experiment and theory ultimately characterize the primary as well as the onset of the secondary solvation shell. The assignments of the infrared photodissociation spectra show how sequential hydration is attributes to the hydrogen-bonded typography and sheds new light on the landscape of noncovalent interactions.

Ions in water: A microscopic look at microhydration

255th National Meeting (2018)

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