Question

Based on what we learned from previous lectures on atomic orbitals and what you read about homonuclear diatomic molecules, describe what is a molecular orbital. (The answer should be no more than 800 words.)

Answer 1

An atomic orbital is defined as the one-electron orbital. that means a spatial coordinate that defines the region of electron density is an atomic orbital. The overlap of two atomic orbitals either in a constructive manner or in a destructive manner forms bonding and antibonding orbitals respectively. The antibonding orbitals are always higher in energy than the bonding orbitals. considering a homoatomic molecular species H_2. One H is having 1 electron in 1s orbital. two such H will come and form antibonding and bonding orbital. total there will be two electrons.

atomic orbital configuration: 1s¹

molecular orbital configuration : 1s_b²

thus the two electrons will now be placed in bonding orbital of hydrogen molecule.

bond order will become 1.

bond order is given by: (bonding electrons- antibonding electrons)/2