Question

a) Estimate the atomic orbital energies to use in a calculation of the molecular orbitals of HCl. The ionization energy and electron affinity of H are 13.6 eV and 0.75 eV, respectively. The ionization energyand electron affinity of Cl are 13.0 eV and 3.62 eV, respectively.

(b) Use the values derived in the previous exercise to estimate the molecular orbital energies in HCl. Use S= 0.

(c) Repeat the previous exercise but with S= 0.2.

Answer 1