Matrix isolation mid- and far-infrared spectra of sulfuric acid and deuterated sulfuric acid vapors

Infrared spectra of sulfuric acid and mixtures of sulfuric acid with the mo no- and dideuterated species isolated in argon matrices at 5 K were obtaine d in the region 4000-180 cm(-1). The spectra were assigned in terms of C-2 symmetry and compared with the results of the ab initio calculations. Our p revious mid-infrared assignment is augmented and all the 15 normal modes of the argon isolated H2SO4 monomer are now assigned for the first time. Ther modynamic properties are calculated based upon these vibrational frequencie s and structural parameters. Bands attributed to the deuterated water compl ex species support previous assumptions in regard to bonding and structure. (C) 1999 Elsevier Science B.V. All rights reserved.