Publications by authors named "A McKellar"

High resolution infrared spectra of water-CO dimers are further studied using tunable infrared sources to probe a pulsed slit jet supersonic expansion. The relatively weak transition of DO-CO in the DO ν fundamental region (≈2760 cm) is observed for the first time, as are various spectra of DO-CO. Combination bands involving the intermolecular in plane geared bend (disrotatory) mode are observed for HO-CO (≈1642, 2397 cm) in the HO ν and CO ν regions, for HDO-CO (≈2761 cm) in the HDO ν region, and for DO-CO (≈2386, 2705 and 2821 cm) in the CO ν, DO ν, and DO ν regions.

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Spectra of the weakly bound H2O-O2 dimer are studied in the region of the H2O ν2 band using a tunable quantum cascade laser to probe a pulsed supersonic slit jet expansion. These are the first gas-phase infrared spectra of H2O-O2 and among only a few such results for O2-containing complexes. Almost 100 infrared lines are assigned based on the ground state combination differences from the microwave spectrum of H2O-O2.

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Infrared spectra of acetylene-water complexes are studied in the regions of the HO ν bend (1600 cm) and the DO ν/ν stretches (2670-2808 cm), using tunable infrared sources to probe a pulsed supersonic slit jet expansion. In the HO bend region, there is a puzzling absence of = 0 transitions for CH-HO, while both = 0 and 1 are observed for CD-HO. This continues a pattern of "missing" states noted in previous infrared studies of acetylene-water.

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The weakly bound dimer water-carbon disulfide is studied by structure theory and high-resolution infrared spectroscopy. The calculations yield three stable minima in the potential energy surface, all planar. The most stable, isomer 1, was observed previously by microwave spectroscopy.

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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.

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