Answer second question 5.) Below is the valence electron molecular orbital diagram and the corresponding potential energy diagram for the Cl2 diatomicmolecule.'n5-3p, 3p, 3Pz3p, 3p, 3Pzn.CIP) + CIP.2-CI°P + CI°P,1-3s3s12Bond length / Åa) Referring to the potential energy diagram on the left, indicate whether the following transitions are allowed or not allowed?Explain your choice in each case.b) The MO diagram on the right depicts the ground state electron configuration for the Clz. Use the information from thisconfiguration to show that the ground state term symbol is '2 :c.) Redraw the MO diagram with electron occupancy to show the excited state electron configurations represented by the 'II , andEu term symbols that label the states in the potential energy level diagram.EnergyEnergy / ev

Since only the second question has been asked, thus answer of only second question (part b) has been…

5.) Below is the valence electron molecular orbital diagram and the corresponding potential energy diagram for the Cl2 diatomic molecule. 'n 5- Зр, Зр, Зр. 3p, 3p, 3P. CIP) + CI 2- CIP) + CI 3s 3s 10 12 Bond length / Å a) Referring to the potential energy diagram on the left, indicate whether the following transitions are allowed or not allowed? Explain your choice in each case. 'LE'E b) The MO diagram on the right depicts the ground state electron configuration for the Cl2. Use the information from this configuration to show that the ground state term symbol is '2: c.) Redraw the MO diagram with electron occupancy to show the excited state electron configurations represented by the y and I „ term symbols that label the states in the potential energy level diagram. Energy Energy/eV

5.) Below is the valence electron molecular orbital diagram and the corresponding potential energy diagram for the Cl2 diatomic molecule. 'n 5- Зр, Зр, Зр. 3p, 3p, 3P. CIP) + CI 2- CIP) + CI 3s 3s 10 12 Bond length / Å a) Referring to the potential energy diagram on the left, indicate whether the following transitions are allowed or not allowed? Explain your choice in each case. 'LE'E b) The MO diagram on the right depicts the ground state electron configuration for the Cl2. Use the information from this configuration to show that the ground state term symbol is '2: c.) Redraw the MO diagram with electron occupancy to show the excited state electron configurations represented by the y and I „ term symbols that label the states in the potential energy level diagram. Energy Energy/eV

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 26P: Following the pattern of Figure 6.21, work out the correlation diagram for the BeN molecule, showing...

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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.
The molecular ion HeH+ has an equilibrium bond length of 0.774 Å. Draw an electron correlation diagram for this molecule, indicating the occupied MOs. If the lowest energy MO has the form C11sH+C21sH , do you expect C2 to be larger or smaller than C1 ?
The MO of the ground state of a heteronuclear diatomicmoleculeAB is mol=CAA+CBB If a bonding electron spends 90% of its time in an orbital A on atom A and 10% of its time in B on atom B, what are the values of CA and CB ? (Neglect the overlap of the two orbitals.)
Apply the Hückel approximation on the conjugated molecule, 1,3,5 – hexatriene, C6H8 to carry the following tasks: (a) Set up the secular determinant (b) Solve the secular determinant to obtain the roots (E1, E2, …). (c) Draw the Hückel molecular orbital (MO) energy diagram and identify the frontier orbitals (HOMO and LUMO) (d) Write the electron configuration based on the Hückel molecular orbitals (e) Calculate the pi electronic energy, Epi (f) Calculate the pi-bond formation energy, Ebf (g) What is the lowest excitation energy?
For the B 2H 6 molecule i) Using projection operators, derive a set of SALCs using the bridging H 1s orbitals. ii) Using projection operators, derive a set of SALCs using the s- and p- orbitals of the B atoms. iii) Using the SALCs derived in (i) and (ii), draw a molecular orbital diagram for the interaction between the B atoms and the bridging H atoms. iv) Fill in the molecular orbital diagram from (iii), remembering that 8 of the available electrons will be used in the bonds between the B atoms and the terminal H atoms – those will not show up in this diagram.
Study MFT370, Fig.10.8. Infer the molecular orbital energy level diagram of the CN- ion by sketching the overlap of all the relevant atomic orbitals.
a.) Sketch for yourself the MO diagram for the following three heteronuclear diatomic species. Give the bond order of: CO, NO, CN^- b.) Sketch for yourself the molecular orbital energy level diagram for KrF and deduce its ground state electron configurations. Is KrF likely to have a shorter or longer or same bond length as KrF+?
The 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.
Give the ground state MO diagrams of PN, SO- , and XeF. (MO DIAGRAMS PLZ)
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?
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.
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+.