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- Considering only the molecular orbitals formed by combinations of the 2s atomic orbitals, how many molecular orbitals can be formed by 1000 Li atoms? In the lowest energy state, how many of these orbitals will be populated by pairs of electrons and how many will be empty?arrow_forwardFor monocyclic conjugated polyenes (such as cyclobutadiene and benzene) with each of N carbon atoms contributing an electron in a 2p orbital, Huckel theory gives the fol lowing expression for the energies Ek of the resulting π molecular orbitals Calculate the energies of the 1t molecular orbitals of benzene and cyclooctatetraene. Comment on the presenceor absence of degenerate energy levels. (b) Ca lcu late and compare the delocalization energies of benzene and hexatriene using the expression from the preceding problem. What do you conclude from your results? (c) Calculate and compare the delocalization energies of cyclooctatetraeneand (linear) octatetraene. Are your conclusions for th is pair of molecules the same as for the pair of molecules investigated in part (b)?arrow_forwardDeduce the parities of the six π-orbitals of benzene.arrow_forward
- How do you write the Huckel determinant for the pi electrons of butadiene? How would you find the energies of the molecular orbitals?arrow_forwarduse vsepr rules to determine the shapes of each of the following species. then establish their rotation axes and mirror planes and hence identify the point group to which they belong. hint: constructing a molecular model will help (a) phosphine, ph3; (b) the carbonate ion, co3^2-; (c) the sulfate ion, so4^2-; (d) the hexafluorophosphate ion, pf 6-arrow_forward4. Sketch the Hückel molecular orbitals for 1,3,5-hexatriene. Be sure to identify the HOMO and LUMO levels, the number of nodes present at each psi level, and the electrons present in each orbital. 1,3,5-hexatrienearrow_forward
- 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?arrow_forward(c) In the construction of molecular orbital diagram involving a hypervalence system of hexafluoro sulphur, only 12 valence electrons are distributed across the molecular orbitals. Explain why this is so?arrow_forwardC₆H₁₂0₆ have asymmetric carbonal. Predict how many are therearrow_forward
- Construct the energy level diagrams of molecular orbitals for the π-system of ethylene. Use the model that the molecule is formed from the appropriately hybridized CH2 fragments. Specifically, use the Hückel MO energies which should be expressed in terms of the Coulomb and resonance integrals, and the respective 2x2 secular determinant.arrow_forwardChoose the molecules that display complete conjugation of the pi system. О О О ил НО. OH HO рос OH -NH NH SOH HN OH OH OH OH OHarrow_forward13C NMR spectroscopy provides valuable information about the environments of a molecule's carbon atoms. Since carbon atoms are often connected to hydrogen atoms, which could split the carbon signal through spin-spin coupling, the coupling between C and H is often "turned off" through the use of broadband decoupling, causing each C signal to appear as a singlet. Draw an isomer of C5H11Cl that would be expected to have four resonances in its 13C NMR spectra.arrow_forward
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