Knowledge Bank

The structure and stability of insertion products formed in metal atom $reactions1,2$ with water and several other molecules are studied using ab initio calculations . Detailed results will be presented for HBOH, HBeOH, HA1OH, and HMgOH. The theoretical predictions will be discussed in light of the recent experimental results of Margrave and Hauge. In addition to the hydroxyhydrides, we will also discuss reaction pathways leading to the mental hydroxide and the metal oxide. Finally, results will be presented for the reactions of aluminum atoms with HF, $NH3,CH3OH$, and $H2S$.