Knowledge Bank

We will discuss the electronic structure of the ground and low-lying excited states of the titled transition metal hydrides. Of these $ScH++,TiH++$, and $VH++$, are thermodynamically stable while $CrH++$, and $MnH++$ are expected to be very long lived. While the charge distribution for each molecule is approximately $M+1.85H+0.15$ the nature of the bonding changes very rapidly from a conventional sigma bond in $ScH++$. We will discuss trends in $De$, bond lengths and vibrational frequencies and will compare with the corresponding neutral and monopositive hydrides.