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Q.Draw the complete molecular orbital energy level diagrams for Li_2 and also determine its bond order ?

Bihar BsebBihar Board Intermediate 1st Year 2023Subjective· 2mImportance★★★★★
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Li2 has the MO configuration sigma1s2 sigma*1s2 sigma2s2 and bond order 1.

Lithium (Z = 3) has 3 electrons, so Li2 has 6 electrons. Filling the molecular orbitals in order of increasing energy:

MO energy-level order (increasing energy):

sigma(1s) -> sigma*(1s) -> sigma(2s) -> ...

Filling 6 electrons:

sigma1s2, sigma*1s2, sigma2s2

Energy-level diagram (schematic):

sigma*(2s) [empty]

2s -------- -------- 2s

sigma(2s) (up-down)

sigma*(1s) (up-down)

1s -------- -------- 1s

sigma(1s) (up-down)

Bond order = (number of bonding electrons - number of antibonding electrons)/2

Bonding electrons = sigma1s(2) + sigma2s(2) = 4

Antibonding electrons = sigma*1s(2) = 2

Bond order = (4 - 2)/2 = 1

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