Fundamentals of Quantum Mechanics by House J. E.;

Author:House, J. E.; [House, J.E.]
Language: eng
Format: epub
Publisher: Elsevier Science & Technology
Published: 2017-04-20T00:00:00+00:00

18. The bond energy in is 2.2 eV greater than that of C2, but the bond energy of is 1.1 eV less than that of O2. Explain this difference.

19. Explain why the bond length in F2 is 142 pm while that of F2+ is 132 pm.

20. The ground state term for B2 is . Explain how this fact gives information about the order of filling the molecular orbitals for diatomic molecules of the second-row elements.

21. For the O2 molecule, draw all of the microstates that could result for the 1πg1 1πg1 configuration. Determine which term each belongs to. What is the ground state term?

22. Write out the molecular orbital populations for NO+, F2, and , then determine their spectroscopic ground states.

23. What would be the effect on the molecular orbital diagram be if a deuterium atom were substituted for a hydrogen atom in ? Why?

24. Oxygen molecules have an intense absorption at 1800 Å. Calculate the energy associated with this band in eV molecule−1 and kJ mol−1. What transition could this correspond to?

25. By means of the molecular orbital energy level diagrams, arrange the following in the order of increasing force constant: (a) NO, (b) O2, (c) N2, and (d) B2.

26. The force constant for bond stretching in the superoxide ion is only about half that in the O2 molecule, whereas that of the dioxygenyl cation is about 1.5 times that of O2. Explain these observations.

27. For the NO molecule, the internuclear distance is 1.15 Å (115 pm) and the stretching force constant is 15.95 mdyn Å−1 (1595 N m−1). Give estimates of these parameters for the NO+ ion and explain the basis for your answers.

28. The oxygen molecule has a ground state configuration of (πu)4 (πg)2. What is the spectroscopic state for this configuration?

29. Although the oxygen molecule has an electronic ground state configuration of (πu)4 (πg)2, the excited state having the configuration (πu)3 (πg)3 lies 35,700 cm−1 higher in energy. What wave length of radiation would be necessary to cause a transition to the excited state? In what region of the spectrum would this absorption be observed?

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