Far-infrared band strengths in the water dimer: experiments and calculations.

Most fundamentals modes of the water dimer have been experimentally determined, and the frequencies have been measured in either neon or parahydrogen matrices. The band strengths of all intramolecular and most intermolecular fundamentals of the water dimer have been measured. The results are further corroborated by comparison with the corresponding data for the fully deuterated water dimer.

A high-resolution FT-IR study of the fundamental bands nu7, nu8, and nu18 of ethene secondary ozonide.

Ozonization reaction of ethene in neat film at 77 K was performed. Separation of ethene secondary ozonide from the other products of the reaction was performed by continuous pumping of the reactor. Only the products, which evaporated from the walls of the reactor at 185 K, were transferred to the gas cell.

Intermolecular vibrations of the water trimer, a matrix isolation study.

Infrared spectra from 25 to 4000 cm(-1) have been recorded of water (H2O, D2O and H218O) matrix isolated in neon, argon, and krypton matrices. Intermolecular absorption bands of different isotopologues of the water trimer and tetramer have been assigned from concentration dependencies and diffusion behavior, using the well-known mid-infrared trimer and tetramer absorption bands as measures of the trimer and tetramer concentrations. The results are compared to ab initio calculations.

A simple model for the water o-H2 complex.

The infrared spectrum of the complex between o-H2 and H2O, D2O, or HDO, isolated in a matrix of solid p-H2, has been studied between 20 and 4500 cm(-1). In addition the infrared spectrum of the complex between p-D2 and H2O in solid o-D2 has been studied. The spectral shifts are interpreted as the result of the quadrupole-dipole interaction between hydrogen and water.

A 1:1 complex between a hydroxyl radical and ozone.

A hydrogen bonded complex between a hydroxyl radical and ozone has been found in argon matrices at 9 K. The shift of the OH stretch (-12.6 cm-1) indicates that this complex is somewhat weaker than the OH-CO complex (-21.

On the stability of the hydrogen chloride complexes with ethylene and acetylene. A high resolution gas phase and ab initio study.

The temperature dependencies of the intensities of the HCl stretching bands of the hydrogen chloride complexes with acetylene and ethylene have been used to obtain estimates of the dissociation enthalpies of the two complexes. Quantum chemical calculations on the Hartree Fock and DFT/B3LYP levels of theory have been combined with experimental data to give estimates of the intensities of the HCl stretching vibration in the two complexes.