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- The photoelectron spectrum of HBr has two main groups of peaks. The first has ionization energy 11.88 eV. The next peak has ionization energy 15.2 eV, and it is followed by a long progression of peaks with higher ionization energies. Identify the molecular orbitals corresponding to these two groups of peaks.Which of the following represents the HOMO in carbon monoxide (CO)? Why is the answer sigma star (antibonding)? I thought the HOMO was the highest occupied electron orbital, so why would the 2p pi level be wrong?The molecule PtCl 2 - is an important square planar starting material in synthetic inorganic chemistry. Using the p orbitals of Cl as the basis find the irreducible representations of the p orbitals and indicate which orbitals could possibly overlap with any of the orbitals on Pt . Assume that the pz orbitals on Cl are orientated in the same direction as the principle rotation axis, px orbitals are pointed at the Pt , and the py orbitals are orthogonal to the px orbitals. Show the characters of each orbital and identify which orbitals on Pt would match from a pure symmetry standpoint.
- How do you write the Huckel determinant for the pi electrons of butadiene? How would you find the energies of the molecular orbitals?What is the ground-state configuration of the valence electrons of brominemolecules (Br2)? Is bromine paramagnetic or diamagnetic?Which of the following molecules is an example of a C∞v point group? A. HCN B. CH2Cl2 C. CCl4 D. BCl3 E. NH3
- Draw the structure of PCL5 calculate their hybridization and also determine the shapes and geometriesThe FEMO theory of conjugated molecules is crude and marginally better results are obtained with simple Huckel theory. (a) For a linear conjugated polyene with each of N carbon atoms contributing an electron in a 2porbital, the energies Ek of the resulting π molecular orbitals are given by: Ek = α + 2β cos kπ/N+1 k = 1,2,3, ... N Use this expression to estimate the resonance integral β for the series consisting of ethene, butadiene, hexatriene, and octatetraene given that ult raviolet absorptions from the HOMO, which is a bonding π orbital, to the LUMO, which is an antibonding π* orbital, occur at 61 500, 46 080, 39 750,and 32 900 cm- 1, respectively. (b) Calculate the π-electron delocalization energy, Edelcc = Eπ -n(α + β). of octatetraene, where Eπ, is the total π-electron binding energy and n is the total number of π-electrons.Explain the concept of bonding and antibonding molecular orbitals and draw examples of s and p MOs?