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![a) Determine the molecular orbital energies and total energy of ethylene (C2H4).
b) Determine the molecular orbital energies, total energy, and delocalization energy of [14]-annulene
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- Which MOs are the HOMO and the LUMO in the excited state? for the MOs of 1,3,5-hexatriene:Which of the following represents the lowest energy pi molecular orbital for cyclopentadiene?Is the molecular orbital diagram of 1,3-butadiene the same as cyclopenta-1,3-diene? If so how come? Doesn't the latter have 5 p orbitals or will it technically only have 4?
- How would you develop a molecular orbital for a structure like buta-2-diene that has an anion on the first carbon and a cation on the fourth carbon? Also, how would MO look like for 2-dimethyl-1,3-pentadiene?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?Using your model, construct an energy diagram to show the variation in the free energy of the molecule as the FRONT ATOM is rotated CLOCKWISE from 0º to 360º in 60º increments. In your energy diagram, you should clearly show the relative energies of each conformer.
- 1/ Show how the participating p orbitals interact to form the highest energy pi molecular orbital of benzene. 2/ Use the polygon rule to draw the MO energy diagram of the cyclononatetraenyl anion. Assuming planarity, would this ion be aromatic or antiaromatic?What is the degree of unsaturation of C8H10ClNO? a. 4 b. 5 c. 6 d. 7Measure the C-C-C and C-C-H bond angles in the energy-minimized models of cis and trans isomers of cyclooctene. Compare these values with those predicted by VSEPR. In which isomer are deviations from VSEPR predictions greater?