Consider the SulflydridealDraw the molecular orbitalorbitals and valence electrons Pn your analysis-Assume the hydrogen,15 and the sulfur 3p orbitals have similar Cout notidenticalTon, SH-diagram for this Pon. Use only the valenceehergies.Labelany bounding,nonbonding,) Label the HOMO and LUMO.Workd What is te Showbond order OF this molecule?natist

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Consider the SuIfhydride ion, sH ion, SH- a Draw the mdlecular orbital diagram for this Pon. Use only tHe valence orbitals and valence electrons Pn your analysis-Assume the hydrogen 15 and the sulfur 3p ovbitals have similar (but notident ical) ehergies. b) Label any baunding,nonbonding, and antibonding orbitalls. ) Label the HOMO and LUMO . Work d What is tte bond order Of this molecule? Show

Consider the SuIfhydride ion, sH ion, SH- a Draw the mdlecular orbital diagram for this Pon. Use only tHe valence orbitals and valence electrons Pn your analysis-Assume the hydrogen 15 and the sulfur 3p ovbitals have similar (but notident ical) ehergies. b) Label any baunding,nonbonding, and antibonding orbitalls. ) Label the HOMO and LUMO . Work d What is tte bond order Of this molecule? Show

Physical Chemistry

2nd Edition

ISBN:9781133958437

Author:Ball, David W. (david Warren), BAER, Tomas

Publisher:Ball, David W. (david Warren), BAER, Tomas

Chapter13: Introduction To Symmetry In Quantum Mechanics

Section: Chapter Questions

Problem 13.73E

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Similar questions

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+ ?
For each molecule or molecular ion below, calculate the bond order: N2, N2-, O2 and O2+. In this calculation, show which specifically bonding and anti-bonding molecular orbitals were used in the calculation. Please label molecular orbitals with appropriate “g” (“gerade”) and “u” (“ungerade”) subscripts.
For each of these contour representations of molecular orbitals,identify (a) the atomic orbitals (s or p) used to constructthe MO (b) the type of MO (π or σ), (c) whether the MO isbonding or antibonding, and (d) the locations of nodalplanes.
Suppose a linear molecule were constructed from three atoms, all of which are found in the second row of the periodictable. How many valence shell AOs would these three atoms contribute toward the production of MOs? How manyMOs would be produced by the mixing of these valence shell AOs? Hint: The answer is independent of which orbitalsoverlap.
Show the irreducible representations and related orbitals which involve in ♂ and bonding of NO3. Draw molecular orbital diagram of NO3, show bond order and HOMO-LUMO orbitals
In at 6 p-orbital system with 6 p-π electrons, which MO is the HOMO? Is this MO symmetric or asymmetric? How many vertical nodes does it have? Circle a choice for each part.
Draw the MO diagram of linear NO2 by consulting the character tables and orbital energies, and to align your O/N/O axes. Remember to use a lower symmetry point group for the linear molecule. What is the bond order of linear NO2? How does it change if you make it NO2 - or NO2 +. Draw each SALC and look for interactions between the orbitals.
Antibonding molecular orbitals can be used to make bondsto other atoms in a molecule. For example, metal atomscan use appropriate d orbitals to overlap with the π*2p orbitalsof the carbon monoxide molecule. This is calledd-π backbonding. (a) Draw a coordinate axis system inwhich the y-axis is vertical in the plane of the paper andthe x-axis horizontal. Write “M” at the origin to denote ametal atom. (b) Now, on the x-axis to the right of M, drawthe Lewis structure of a CO molecule, with the carbon nearest the M. The CO bond axis should be on the x-axis.(c) Draw the CO π*2p orbital, with phases (see the “CloserLook” box on phases) in the plane of the paper. Two lobesshould be pointing toward M. (d) Now draw the dxy orbitalof M, with phases. Can you see how they will overlap withthe π*2p orbital of CO? (e) What kind of bond is being madewith the orbitals between M and C, σ or π ? (f) Predict whatwill happen to the strength of the CO bond in a metal–COcomplex compared to CO alone.
Given molecule: PCl3 and NH3 1. Identify point group 2. Draw Lewis structure, and identify molecular shape according to VSEPR theory 3. Indicate coordinates of each atom 4. Use projection operator method to construct MO diagram 5. Sketch all atomic and group orbitals (show the phase/polarity (as necessary)) 6. Indicate the symmetry of each atomic and group orbitals 7. Sketch the molecular orbitals that satisfy all the conditions for overlap (with corresponding anti-bonding MOs), and all the non-bonding MOs. 8. Sketch the final MO diagram.
(a) Using only the valence atomic orbitals of a hydrogenatom and a fluorine atom, and following the model ofFigure 9.46, how many MOs would you expect for the HFmolecule? (b) How many of the MOs from part (a) would beoccupied by electrons? (c) It turns out that the difference inenergies between the valence atomic orbitals of H and F aresufficiently different that we can neglect the interaction ofthe 1s orbital of hydrogen with the 2s orbital of fluorine.The 1s orbital of hydrogen will mix only with one 2p orbitalof fluorine. Draw pictures showing the proper orientationof all three 2p orbitals on F interacting with a 1s orbitalon H. Which of the 2p orbitals can actually make a bondwith a 1s orbital, assuming that the atoms lie on the z-axis?(d) In the most accepted picture of HF, all the other atomicorbitals on fluorine move over at the same energy into themolecular orbital energy-level diagram for HF. These arecalled “nonbonding orbitals.” Sketch the energy-level diagramfor HF using…
Explain when sigma(-) and pie- notation used, and when is a-, e- and t-notation used in Mo energy level diagram
The Be2 molecule has been detected experimentally. It has a bond length of 2.45 Å and a bond dissociation energy of 9.46kJmol1 . Write the ground-state electron configuration of Be2 and predict its bond order using the theory developed in the text. Compare the experimental bonding data on Be2 with those recorded for B2,C2,N2, and O2 in Table 6.3. Is the prediction that stems from the simple theory significantly incorrect?