Linear Combinations of Atomic Orbitals (LCAO's)
Question 1
Give an appropriate set of LCAO's for a square pyramidal sp3d geometry assuming:
- The axial-base angle = 90° [Solution]
- The axial-base angle > 90° [Solution]
Question 2
Give an appropriate set of LCAO's for a trigonal bipyramidal sp3d geometry. [Solution]
Homonuclear Diatomic MO Diagrams
Question 1
Draw an MO Diagram for B2. Draw the expected Lewis structure for B2 and a
Lewis structure based on your MO Diagram. Compare the two drawings in terms of
bonding. Is the molecule paramagnetic or diamagnetic, based on the MO Diagram?
[Solution]
Question 2
Draw an MO Diagram for C2. Draw the expected Lewis structure for C2 and a
Lewis structure based on your MO Diagram. Compare the two drawings in terms of
bonding. Is the molecule paramagnetic or diamagnetic, based on the MO Diagram?
[Solution]
Question 3
Draw an MO Diagram for O2. Draw the expected Lewis structure for O2 and a
Lewis structure based on your MO Diagram. Compare the two drawings in terms of
bonding. Is the molecule paramagnetic or diamagnetic, based on the MO Diagram?
[Solution]
Heteronuclear Diatomic MO Diagrams
Question 1
Draw an MO Diagram for NO+ (the molecular orbitals are ordered the same as in B2).
Draw the expected Lewis structure for NO+ and a Lewis structure based on your MO Diagram.
Compare the two drawings in terms of bonding. NO+ coordinates to metal complexes through
the nitrogen atom. Would this be expected based on your MO Diagram? Explain.
[Solution]
Question 2
Draw an MO Diagram for NO- (the molecular orbitals are ordered the same as in B2).
Draw the expected Lewis structure for NO- and a Lewis structure based on your MO Diagram.
Compare the two drawings in terms of bonding. NO- coordinates to metal complexes through
the nitrogen atom through a σ-bond. Would this be expected based on your MO Diagram? Explain.
[Solution]
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