Knowledge Bank

The electronic and geometric structures of the chromium cations $CrH+,CrH3\mathrm{<mrow\; data-mjx-texclass="ORD">+</mrow>},CrCH3\mathrm{<mrow\; data-mjx-texclass="ORD">+</mrow>}$ and $CrCH+$ have been studied using ab-initio MCSCF and Cl techniques. The calculated Cr-C bond lengths and bond energies (in kcal/mol) are [FIGURE] These data suggest that $CH3.CH2$ and CH form single, double (in the $\mathrm{<mrow\; data-mjx-texclass="ORD">4</mrow>}B1$ state) and triple bonds respectively with $Cr+$. In addition to comparing these data with the available experimental values we will present a detailed analysis of the role played in the bonding by the $Cr+4s$ and $3d\sigma$ electrons.