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.
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- Explain why 1g is the ground state for H2+ . By combining your answer with the answer to Problem 5, what conclusions can you draw about the molecular orbital description of the bond in H2+ ?The B2 molecule is paramagnetic; show how this indicates that the energy ordering of the orbitals in this molecule is given by Figure 6.18a rather than 6.18b.Following the pattern of Figure 6.21, work out the correlation diagram for the BeN molecule, showing the relative energy levels of the atoms and the bonding and antibonding orbitals of the molecule. Indicate the occupation of the MOs with arrows. State the order of the bond and comment on the magnetic properties of BeN.
- 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.Calcium carbide (CaC2) is an intermediate in the manufacturing of acetylene (C2H2) . It is the calcium salt of the carbide (also called acetylide) ion (C22) . What is the electron configuration of this molecular ion? What is its bond order?The pyridine molecule (C5H5N) is obtained by replacing one CH group in benzene with a nitrogen atom. Because nitrogen is more electronegative than the CH group, orbitals with electron density on nitrogen are lower in energy. How do you expect the MOs and energy levels of pyridine to differ from those of benzene?
- The wavelength at which the O2 molecule most stronglyabsorbs light is approximately 145 nm. (a) In which regionof the electromagnetic spectrum does this light fall?(b) Would a photon whose wavelength is 145 nm haveenough energy to photodissociate O2 whose bond energy is495 kJ/mol? Would it have enough energy to photoionize O2?What is the term symbol of free Fe2+ in the ground state? When oxygen binds , what change should be made to the bond lenght and angle for Fe--N?For 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)?
- schematically show the pi electronic enery levels of hexatrieneGive the Lewis-structure of a molecule containingboth a σp-p and a πp-p overlap of orbitals. Thenindicate the σ- en π-bonds in the molecule.How would you draw a molecular orbital diagram of butadiene showing the energies and occupancy ofthe orbitals in the ground state? How would you estimate the total pi binding energy of the molecule?