Weakly bound iodine water complex: c of unexplained ZEKE-spectra

Weakly bound halogen water complexes are of manifold interest, for instance due to their role in atm. chem. or as model systems for studying soln. processes. The first step on this way from finite mol. clusters to the soln. is the weakly bound complex of one halogen atom or at. anion and one water mol. In particular the anionic iodine-water complex has been subject to extensive theor. and exptl. research. In contrast to the anionic complex few expts. exist for the neutral iodine water complex. Photoelectron spectra delivered information about electronic states. Only high resoln. anion-ZEKE spectra revealed vibrational features. However, these spectra never could be assigned satisfyingly. Therefore we decided a reinvestigation. Deuteration supplied new spectroscopic information due to smaller rotational consts. and reduced van der Waals bending frequencies. The non-understood spectral structure of the protonated complex can be explained. The vibrational structure of the X-state has been reassigned, new information about van-der Waals stretching motion and binding energies are found. [on SciFinder(R)]     «

Weakly bound halogen water complexes are of manifold interest, for instance due to their role in atm. chem. or as model systems for studying soln. processes. The first step on this way from finite mol. clusters to the soln. is the weakly bound complex of one halogen atom or at. anion and one water mol. In particular the anionic iodine-water complex has been subject to extensive theor. and exptl. research. In contrast to the anionic complex few expts. exist for the neutral iodine water complex. P...     »