Knowledge Bank

The electronic and geometric structures of $ScH+$ and $ScH2+$ have been studied using ab-inito MCSCF and Cl tychniques. The calculated bond lenth, $De$ and $\omega e$ for the first three states of $ScH+$ are [FIGURE] We calsulate the bond length in $(1A1)ScH2+$ to be 1.75\AA with an $H-Sc-H$ angle of $105.6\circ$. While $ScH2+$ is strongly bond relative to $ScH++H$, preliminary results suggest the reaction $ScH2+\to Sc++H2$ is isoergic. In addition to comparing these results to experiment we will present an analysis of the bonding.