Infrared spectra of partially deuterated water dimers in the fundamental O-D stretch region.

ABSTRACT

Spectra of mixed H/D water dimers are studied in the mid-infrared region of the O-D stretch fundamental (2630-2800 cm-1) using a pulsed supersonic slit jet and a tunable optical parametric oscillator infrared source. Over 30 bands, belonging to nine of the ten possible isotopologues (only H2O-HOD is missed), are observed and analyzed. The implications for excited state tunneling splittings, lifetime effects, and vibrational shifts are discussed. These are the first significant new experimental results on (gas phase) mixed water dimers in over 25 years, and they are valuable for testing water dimer theoretical calculations, a field which continues to be of lively current interest.