Torsional and librational dynamics of hydrazinium(+1) and (+2) binary salts by incoherent inelastic neutron scattering and IR spectroscopy

INOR 322

Monika A. Hartl, hartl@lanl.gov1, Alice I. Acatrinei, aacatrinei@lanl.gov1, Luke L. Daemen, lld@lanl.gov1, Juergen Eckert, juergen@mrl.ucsb.edu2, Max Roemer, maxro@chemie.fu-berlin.de3, and Dieter Lentz3. (1) Manuel Lujan, Jr. Neutron Scattering Center, Los Alamos National Laboratory, MS H805, Lujan Center, Los Alamos, NM 87545, (2) Materials Research Laboratory, University of California, Santa Barbara, Santa Barbara, CA 93106, (3) Fachbereich Chemie, Biologie, Pharmazie, Institut für Chemie – Anorganische Chemie, Freie Universität Berlin, Fabeckstr. 34-36, D14195 Berlin, Germany
Hydrazinium(+1) (N2H5+) and hydrazinium(+2) (N2H62+) entities exist in aqueous solution as distinct monovalent and divalent cations, respectively. They are capable of forming stable ionic solids with a large variety of anions and a significant number of such compounds have been synthesized. While much work has focused on the structure of materials containing these ions, there are relatively few studies devoted to the dynamics of these cations in various chemical environments. The presented work will show a systematic investigation of the librational and torsional dynamics of the hydrazonium and hydrazinium ions in the presence of group VIII anions (fluoride, chloride, bromide, iodide), as well as larger anions (sulfate, perchlorate and hexafluorosilicate).Our studies are not only based on optical spectroscopy, but mainly on incoherent inelastic neutron scattering on the Filter Difference Spectrometer at LANSCE to obtain vibrational spectra between 40 and 2000 cm-1. Comparisons with ab initio calculations of the vibrational spectra with Gaussian03 [DFT/B3LYP/6-311G++(d,p)] and a-CLIMAX 5.1 are made.
 

Spectroscopy of Inorganic Systems
7:00 PM-10:00 PM, Sunday, August 19, 2007 BCEC -- Exhibit Hall - B2, Poster

Division of Inorganic Chemistry

The 234th ACS National Meeting, Boston, MA, August 19-23, 2007