http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
Spectroscopic characterization and molecular dynamics in neutral hydrogen bond interactions
Spectroscopic investigations of ground electronic states in the small neutral isolated hydrogen bond HCN---HF have been made. Static gas phase infrared spectroscopic analysis of fundamental, overtone, combination, and hot bands in the common and isotopically substituted species have been recorded with a Fourier transform infrared spectrometer. All of the fundamental vibrations of HCN---HF have been recorded and analyzed. The accurately determined complex molecular parameters including ground and excited state rotational and distortion constants, band origin frequencies, and excited state lifetimes have enabled quantitative characterization of fundamental properties in these ubiquitous interactions. Molecular dynamics and energy redistribution have been explored in the weakly bound limit. The dissociation energy and the thermal functions of hydrogen bond formation were measured using a new technique employing relative intensity measurements. In addition, concerted application of a diode laser-cw supersonic jet spectrometer has provided experimentally determined rovibrational parameters for the characterization of OC---DCI and other dimers. Experimental results will contribute significant new data for global modelling of anharmonic potential energy hypersurfaces in hydrogen bond interactions.