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- In the highest energy TT MO of 1,3-butadiene nodes are found.On one-electron oxidation of a five valence electron AH₂ compound (C₂, point group) to a closed shell (no unpaired electrons) four valence electron C₂, cationic species, what is the symmetry of the highest energy occupied molecular orbital, and what happens to the energy of this orbital when the four valence electron AH2 C2y cation changes to a Doch geometry? O 2a₁ and stabilised (decreases in energy) O 2a₁ and destabilised (increases in energy) O 1b2 and stabilised (decreases in energy) O b₁ and no change in energy4) How many nodes, other than the node coincident with the molecular plane, are found in the highest energy л MO of 1,3-butadiene?
- 9. Consider the ethyl iodide molecule, CH CH₂, which of the statements below is correct? (A) CH, protons are more deshielded. (B) The energy gap between a and ß spin states of CH₂ protons is smaller than the counterpart of CH; protons. (C) The electronegative element I shields the CH₂ protons. (D) None of the above.How many nodes are there in each of the MOs of 1,3-butadiene?1. Use a group theoretical approach to propose a molecular orbital scheme for the electron network of trimethylenemethane. Trimethylenemethane has a planar, D3 3h, structure. H₂C =CH₂ a. Using the three 2p, orbitals on the terminal C atoms as a basis, generate a reducible representation. Note that the z-axis is perpendicular to the plane of the page. Reduce this representation to its component irreducible representations. You should end up H₂C with one non-degenerate irreducible representation and one doubly degenerate irreducible representation. - b. Use projection operators to project out the appropriate linear combinations of the basis orbitals to make reasonable SALCs. To obtain the non-degenerate SALC, use the projection operator on Q₁. For the doubly degenerate pair, one SALC can be obtained by using the appropriate projection operator on ₁. The second can be obtained by using the appropriate projection operator on (9₂ 93). Sketch the resulting SALCs. c. Sketch the four molecular…
- Describe the [3,3] sigmatographic rearrangement as a simmetry of the orbital.TOPIC: QUANTUM, ATOMIC AND MOLECULAR PHYSICIS (a) Using Hückel's method, describe the energy of the molecular orbitals T of cyclobutadiene C4H4, which is a flat molecule made up of a square ring of carbons, as shown in the figure; (b) Do the same for 1,3-butadiene C4H6, which is an elongated planar molecule, as shown in the figure. (c) In both cases, draw an energy diagram indicating the filling of the orbitals and identifying the HOMO and the LUMO. Sketch by hand schematically (using two colors to distinguish the lobes from the 2pz orbitals) the result obtained for the orbitals, identifying them with the corresponding energy. If possible, you can use the Orbital Viewer program to plot the orbitals.The ground-state electron configuration of the H; molec- ular ion is (og15)'. (a) A molecule of H absorbs a photon, promoting the electron to the os molecular orbital. Predict what happens to the molecule. (b) Another molecule of H absorbs even more energy promoting the electron to the o,2, molecular orbital. Predict what happens to this molecule.
- Molecule C shown below contains a group called an allene. An allene has the structure of one central carbon being doubly bonded to two other carbons (C=C=C). Please draw out all of the p-orbitals that are involved in the pi-system for molecule C. b) The p-orbital on carbon 1 in molecule C are not in conjugation with the p-orbital on carbon 2 (ie the p- orbitals are not pointing in the same direction and there is no overlap). Why does this happen?Which MOs are the HOMO and the LUMO in the ground state? for the MOs of 1,3,5-hexatrieneExplain why a molecule with no dipole moment is microwave inactive but may show an infrared spectrum.Which of the following molecules may show infrared absorption spectra and, in each case, briefly explain why this is so: (i) H2, (ii) HCl, (iii) CO2 , and (iv) H2O?