1. Consider the H2+ ion and respond to the following. (a) Sketch the occupied MO of...
Consider the H2 ion and respond to the following 2. (a) Sketch the highest occupied MO of H2 H (b) What is the electron density in this MO at the midpoint of the H-H bond? (c) What is the bond order in H2-?
1. Consider the H2* ion and respond to the following questions. (a) Sketch the unoccupied MO of Hat and tell whether this orbital has a node. If yes, sketch (or describe) the surface. HH (b) How does the energy of the o-bonding MO of H2* compare to that of the 1s orbital of hydrogen? (c) Would you expect Hal to act as an oxidant or as a reducing agent toward the Halon in a chemical reaction? Briefly explain
3. Consider Heat and respond to the following. (a) Sketch the singly occupied MO of Hez*. He He (b) Decide whether Heation should have a t-MO. Explain. (c) What should happen to Hez upon one-electron reduction? Explain.
8. For molecular fluorine, F2 (a) Define (sketch) your reference system and sketch the highest occupied O-MO. What is the number of nodes in this MO? F. F. (b) Name the valence orbitals contributing to the MO you sketched above. (c) What is the number of occupied antibonding molecular orbitals in F2? Are any of these orbitals degenerate?
7. For molecular oxygen, (a) Define (sketch) your reference system and sketch a * MO. What is the number of electrons in this MO? 0 0 (b) Name the valence orbitals contributing to the MO you sketched above. (c) Are there any degenerate orbitals in O2? Briefly explain.
[Co(NH3)6]3+ion4. Construct the MO diagram. Label all atomic, group and molecular orbitals with symmetry labels. Fill in the diagram with the appropriate number of electrons. Assume that this complex is a strong field, low spin complex.5. a) What set of orbitals is the HOMO (highest occupied molecular orbitals).b) Is this set of orbitals classified as bonding, antibonding or non-bonding (no symmetry match)?6. What set of orbitals is the LUMO (lowest unoccupied molecular orbitals)?
Molecular orbitals. Consider the following diatomic molecules: H2*, H2, Li2, N2, O2. For each molecule, (A) determine the number of electrons N; (B) give the index i of the HOMO (1 is lowest energy orbital, 2 is next one up, etc); (C) sketch the shape of the HOMO, indicating the signs of the lobes; (D) indicate the symmetry of the HOMO (o, T, 6) Molecular orbitals. Consider the following diatomic molecules: H2*, H2, Li2, N2, O2. For each molecule, (A)...
Molecular orbitals. Consider the following diatomic molecules: H2°, H2, Li2', N2, O2. For each molecule, (A) determine the number of electrons N; (B) give the index i of the HOMO (1 is lowest- energy orbital, 2 is next one up, etc); (C) sketch the shape of the HOMO, indicating the signs of the lobes; (D) indicate the symmetry of the HOMO (o, T, 6) 4.
9. For molecular nitrogen, (a) Sketch the LUMO of N2. Define (sketch) your reference system and name the p orbitals contributing to the MO of your sketch Ν Ν. (b) Name the p orbitals contributing to the HOMO of N2. (c) What is the total number of antibonding orbitals in N2?
The molecule is 3. (9 points) Sketch the frontier orbitals involved in bonding the H2 to W. a. (3 points) Start by considering the orbitals of the free H2 molecule. Draw the MO diagram for H2 and fill in the electrons. What is the HOMO? LUMO? Draw the shape of these orbitals. b. (4 points) Consider the metal orbitals which would have the appropriate symmetry to interact with each H2 orbital. Draw these interactions. Be sure to indicate the direction...