The bond in H–CI can be explained by the overlap between an s orbital from hydrogen and a p orbital from chlorine, as shown in this diagram. (a) Draw the bonding and antibonding MOs that would result from such an interaction. (b) What is the symmetry of each of these MOs?
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- For each of the following molecules, construct the MOs from the 2pz atomic orbitals perpendicular to the plane of the carbon atoms. (a) Cyclobutadiene HC (b) Allyl radical Indicate which, if any, of these orbitals have identical energies from symmetry considerations. Show the number of electrons occupying each MO in the ground state, and indicate whether either or both of the molecules are paramagnetic. Assume that the C atoms in the allyl radical are all sp2 hybridized.The bond in Cl2 can be explained by the end-on overlap between two p AOs, as shown inthis diagram. (a) Draw the bonding and antibonding MOs that would result from such an interaction. (b) What is the symmetry of each of these MOs?(a) Draw the orbital picture for :C=0: showing the explicit overlap of the contributing AOs. (b) How many MOs of T symmetry are there in total? (c) Draw the orbital energy diagram for CO and identify the HOMO and LUMO.
- Draw the complete MO diagram for [CoCl6]4- Label the AOs and SALCs and MOs. Draw a sketch for each MO with the appropriate symmetry label(c) An octahedral cluster molecule E6 in Oh point symmetry can be formed without a central atom and is bonded together using the six s and eighteen p orbitals on the six atoms. Each vertex comprises a sp hybrid orbital (radial) pointing into the cluster, and two p orbitals (tangential) at right angles to each other and to the centre of the cluster (see figure below). These are the same as the ligand orbitals used in o- and x-bonding in octahedral transition metal complexes. The bonding overlaps between these orbitals are shown below in A, B and C, and two of these are each part of a triply degenerate set and the other is singly degenerate - remember in O₂ symmetry x, y and z are degenerate. E E E E two tangential p orbitals B The reducible representation for these bonding orbitals is: radial sp orbital Oh E 8C 6C₂ 6C 3C₂ i 684 8S6 30h Ibonding 7 1 -1 1 -1 1 1 11 (i) Determine the three irreducible representations for the orbitals that contribute to cluster bonding to form the seven…(a) Draw the molecular orbital diagram for hydrofluoric acid, HF. Be sure to clearly label orbital symmetry and indicate which orbitals are occupied by electrons.
- Draw structures for the following showing correct geometry and identify all of the symmetry elements present ) ClO-.For each of these contour representations of molecular orbitals,identify (a) the atomic orbitals (s or p) used to constructthe MO (b) the type of MO (s or p), (c) whether the MO isbonding or antibonding, and (d) the locations of nodalplanes.6) Given below are the molecule BH3, its character table, and its molecular orbital diagram. By convention, the z-axis lies along the principal rotation axis: (a) What Mulliken symbol represents the symmetry of the MOs I-V? (b) Which of the given atomic orbitals on boron would match the MOS I-V? (c) Depict the in-phase (bonding) and out-of-phase (anti-bonding) of these MOS. B 2p orbitals B 2s orbitals II H 2s orbitals D₂ A, A₂' A," E" 1 1 2 1 1 2 2C, 3C₂ 0₂ 25, 1 1 1 1 1 -1 1 -1 1 -1 0 1 2 -1 -1 30, 1 1 -1 R₂ -1 0 -1 -1 -1 1 1 0 (x, y) (R., R.) x+y²,2² (x²-y, xy) (xz, yz)
- 5. Draw the complete MO diagram for BF3. What is the point group? Label the AOs and SALCs and MOS. Draw a sketch for each MO with the appropriate symmetry label. What is the overall bond order? Which orbitals represent the lone pairs? What is the ionization energy in units of eV for BF3?Which one of the following is correct regarding the symmetry of molecular orbitals? O Ta is g O Od is g O O, is u O Os is u O n, is uThe orbital potential energies for the 4s and 4p of Br are -18.65 ev and -12.49 ev, respectively. Recall that the H 1s is -13.61 ev. The MO diagrams for HBr is not exactly the same as HF. Draw the MO diagram for HBr, including energy levels, each orbitals shape, each orbitals character (meaning what atomic orbitals contribute to each M.O. and how much), symmetry labels indicate the HOMO and LUMO, the bond order (show your work), whether the molecule is paramagnetic or diamagnetic. Compare and contrast the MO diagrams of HF and HBr.