Matrix isolation infrared spectroscopic and density functional theoretical study of the aluminum, gallium and indium borates

Article abstract of DOI:10.1016/j.chemphys.2005.01.024

The aluminum, gallium and indium borates have been produced by co-deposition of metal and boron atoms with oxygen molecules in excess argon at low temperature. The metal borate molecules were identified on the basis of the experimentally observed vibrations with isotopic effects (¹⁶O/ ¹⁸O substitutions, and ¹⁰B/¹¹B and ⁶⁹Ga/⁷¹Ga in natural abundance) as well as density functional calculations. The aluminum, gallium and indium borates were predicted to have linear geometries with a highly ionic electronic structure.