Geometry-optimized 3-21G ab initio calculations were performed on the [R3Al⋯H⋯A1R3]−ion with R = H or R = CH3. The lowest energy was obtained with a linear Al⋯H⋯Al structure. Small rotational barriers and bending energies are also reported. In addition, the structure of [H3Al⋯Cl⋯AlH3]−was calculated for comparison and found to be bent.
|Original language||English (US)|
|Number of pages||2|
|Journal||Journal of the American Chemical Society|
|State||Published - 1982|
ASJC Scopus subject areas
- Colloid and Surface Chemistry