9. For molecular nitrogen, (a) Sketch the LUMO of N2. Define (sketch) your reference system and...
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.
1. a) What are the atomic orbitals that make up: i) Benzene: homo, lumo, homo-2, lumo+2 ii) Butadiene: homo, lumo, homo-1,lumo+1 iii) Formaldehyde: homo and lumo. - to what number molecular orbitals do these belong? iii) b) For the ten molecular orbitals of N2, what are their characteristics? What are the characteristics features of each bonding and antibonding orbital? How do the Pi 2p and the Pi*2p molecular orbitals differ in relative spatial orientation?
2. (40 points) The MO diagrams for homonuclear diatomic molecules are given below. LUMO Lowes Unceaupiad 2P HOMD (tHighast ocaupied No No mixing Mixing of og orbitals (a) (b) Bo BongNon 8-2 Va) (15 pts) Choose the appropriate diagram for the N2 molecule and place the right number of electrons. Indicate the frontier orbitals (HOMO and LUMO) and the bond order. b) (20 pts) Sketch a qualitative MO diagram for the heteronuclear diatomic anion CN; place the right number of...
Answer the following questions for the molecular orbitals of 1,3,5-hexatriene: a. Which are the bonding orbitals, and which are the antibonding orbitals? b. Which orbitals are the HOMO and the LUMO in the ground state? c. Which orbitals are the HOMO and the LUMO in the excited state? d. Which orbitals are symmetric, and which are antisymmetric? e. What is the relationship between HOMO and LUMO and symmetric and antisymmetric orbitals?
[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)...
5. Draw the molecular orbital diagram for N2. Label all of the atomic orbitals and molecular orbitals and put the correct number of electrons in. You do not need to draw the shapes of any of the orbitals. a) MO diagram b) Based on your MO diagram, is N2 diamagnetic or paramagnetic? c) Calculate the bond order for N2.
(a) Draw all of the pi molecular orbitals for (3E)-1, 3, 5-hexatriene ordering them from lowest to highest in energy. (b) Indicate which are bonding and which are antibonding. (c) Indicate the number of electrons that would be found in each in the ground state for the molecule. (d) Label the HOMO and LUMO.
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17. CH2 is isostructural with H2O, thus qualitatively the same MO diagram applies to both (see on the right). On the basis of this consideration, respond to the following: (a) If CH2 had all electrons paired, which of the orbitals would have been the LUMO and the HOMO? (b) Complete the reference system and sketch the HOMO that you indicated above H H (c) Oxidation of CH2 gives formaldehyde H2C=O. Name the atomic orbital...