Calculate the total sigma interactions for the four other geometries indicated in the reference structures (square planar, tetrahedral, trigonal bipyramidal and trigonal) to determine the relative energies of the d- orbitals. As you did with the sigma angular overlap, calculate the total t interactions for the other geometries: square planar, tetrahedral, trigenel binyremidelond trigenel ploner

Calculate the total sigma interactions for the four other geometries indicated in the reference structures (square planar, tetrahedral, trigonal bipyramidal and trigonal) to determine the relative energies of the d- orbitals. As you did with the sigma angular overlap, calculate the total t interactions for the other geometries: square planar, tetrahedral, trigenel binyremidelond trigenel ploner

Principles of Modern Chemistry

8th Edition

ISBN:9781305079113

Author:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler

Publisher:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler

Chapter6: Quantum Mechanics And Molecular Structure

Section: Chapter Questions

Problem 61P: Discuss the nature of the bonding in the nitrite ion (NO2) . Draw the possible Lewis resonance...

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The molecular orbital diagram of NO shown in Figure 10.47 also applies to OF. Draw the complete molecular orbital diagram for OF. What is the OF bond order? Figure 10.47 Molecular orbital diagram for nitric oxide (NO). The molecular orbital diagram for NO predicts a bond order of 2.5 and predicts that the molecule is paramagnetic with one unpaired electron. These predictions are verified by experimental measurements.
Discuss the nature of the bonding in the nitrate ion (NO3) . Draw the possible Lewis resonance diagrams for this ion. Use the VSEPR theory to determine the steric number, the hybridization of the central N atom, and the geometry of the ion. Show how the use of resonance structures can be avoided by introducing a de-localized MO. What bond order is predicted by the MO model for the NO bonds in the nitrate ion?
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?
Compare the electron density in the 1g and 1u* molecular orbitals for H2+ shown in Figure 6.5 with the classical model for bonding for H2+ summarized in Figure 3.22b. Which of these molecular orbitals describes the bond in H2+ ?
Enter in order the hybridization and coordination number (CN) of the central atom for each substance
(a) Sketch the molecular orbitals of the H2- ion and draw itsenergy-level diagram. (b) Write the electron configuration ofthe ion in terms of its MOs. (c) Calculate the bond order inH2-. (d) Suppose that the ion is excited by light, so that anelectron moves from a lower-energy to a higher-energy molecularorbital. Would you expect the excited-state H2- ion to bestable? (e) Which of the following statements about part (d) is correct: (i) The light excites an electron from a bonding orbitalto an antibonding orbital, (ii) The light excites an electronfrom an antibonding orbital to a bonding orbital, or (iii)In the excited state there are more bonding electrons thanantibonding electrons?
(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…
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.
Considerthese following ions: 02 -, N -, Li2 + and O - a. Based on molecular orbital theory (MOT), which of the ion(s) exhibit(s) paramagnetism? b. For those ions that are paramagnetic, determine the number of unpaired electrons. Support your answers with appropriate molecular orbital energy diagram.
The following sketches show the atomic orbital wave functions(with phases) used to construct some of the MOs ofa homonuclear diatomic molecule. For each sketch, determinethe type of MO that will result from mixing theatomic orbital wave functions as drawn. Use the same labelsfor the MOs as in the “Closer Look” box on phases.
Indicate FALSE and TRUE statements. Explain briefly your each answer. ………Bond energy of N2 is larger than that of O2. ……… 24Cr and 29Cu have the electron configurations 3d44s2 and 3d94s2. ………The symmetry species for doubly and triply degenerate representations are designated as A and B. ………NCl5 is a stable molecule but PCl5 is not stable. ………The point group of GeCl4 is Oh. ………The ionization energies of the group II A metals are in the order Ba>Sr>Ca>Mg. ………The radius increases as nuclear charge increases for ions with the same electronic structure such as O2-, F-, Na+, Mg2+.
Why is the molecular orbital theory for NO different from that of NO+ and NO-? With NO the Pi orbitals start with Sigma but the ions start with Pi. Please explain...thanks