4. (a) Use the simple one-electron molecular orbital method, including overlap, tocalculate the energies of the molecular orbitals of the hydrogen molecule (H₂) interms of a, ß and S?(b) Calculate & given that a = -13.6 eV, that S = 0.6, and that the lowest UV absorptionenergy is 12 eV.(c) Determine the ionisation energy of the bonding molecular orbital in H₂ ? [6 marks]

Answered: Image /qna-images/answer/ba01fe21-ad3c-4d65-8d53-556f9af2e6c9.jpg

4. (a) Use the simple one-electron molecular orbital method, including overlap, to calculate the energies of the molecular orbitals of the hydrogen molecule (H₂) in. terms of a, ß and S? (b) Calculate ß given that a = -13.6 eV, that S = 0.6, and that the lowest UV absorption energy is 12 eV. (c) Determine the ionisation energy of the bonding molecular orbital in H₂ ? [6 marks]

4. (a) Use the simple one-electron molecular orbital method, including overlap, to calculate the energies of the molecular orbitals of the hydrogen molecule (H₂) in. terms of a, ß and S? (b) Calculate ß given that a = -13.6 eV, that S = 0.6, and that the lowest UV absorption energy is 12 eV. (c) Determine the ionisation energy of the bonding molecular orbital in H₂ ? [6 marks]

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

Chapter20: Molecular Spectroscopy And Photochemistry

Section: Chapter Questions

Problem 42P

See similar textbooks

Related questions

Q: Consider the fluorine molecule and the F," molecular ion:

Q: Sketch the ¹H and ¹ºB spectra of the tetrahedral anion ¹ºBH4¯. (¹ºB has I = 3)

A: In the given question we have to predict the 1H-NMR and 10B-NMR spectrum of 10BH4- ion.NMR…

Q: MO diagrams for ions: Molecule orbital diagrams can also be used to predict the bond orders of…

A: The molecular orbital theory is used to determine the bond order of diatomic molecules.

Q: Use valence bond theory to describe the hybridized bonding in the following molecule. (i) What is…

A: If the element contains four or less than four electron pairs surrounding the central atom, is…

Q: 5. Determine the bond order of each member of the following groups, and determine which member of…

A: Bond order is associated with the strength of the bond and bond length.The higher the bond order,…

Q: Predict what type (if any) of molecular orbital would result from adding the wave functions so each…

A: Analyse the wave functions present in (a) This is a head on overlap of two 3p orbitals. Also the…

Q: 1. Draw molecular orbital diagrams to determine the number of unpaired electrons in (a) O₂, (b) O₂,…

A: The molecular orbital diagram is a representation indicating the filing of electrons within the…

Q: -10. Which diagram depicts the atomic orbital diagram for the valence electrons of a ground state…

A: Oxygen has the atomic number 8. It is a group 16 elements. The electronic configuration of oxygen is…

Q: Use the valence electron molecular orbital diagram for O2 to propose ground state O2 ions that…

Q: Like many of the molecules we have studied in this class, propene (structure shown below) can be…

A: Propene contains three pi- electrons HOMO - Highest Occupied Molecular Orbital LUMO - Lowest…

Q: (1) (a) Draw an energy level diagram showing the ground state electronic struc- ture of each of the…

A: In the above question we have to tell about the energy level diagram showing the ground state…

Q: Predict the molecular geometry for SF4 molecule and the hybridization of the central atom S.…

A: The molecular geometry for SF4 molecule and the hybridization of the central atom S is -…

Q: The wave number of the radiation that causes a transition in the energy states corresponding to two…

Q: For HCl (note that the IEH = 13.6 eV and IEC = 13.0 eV): (a) Draw a MO diagram and write the…

A: A Molecular Orbital (MO) diagram is a graphical representation used in molecular orbital theory to…

Q: Consider the following species: CN , CN ΝΟ, NF (a) Represent the bonding with a well-labuued…

A: Bond order = [(Bonding molecules' number of electrons) – (Antibonding molecules' number of…

Q: Consider the molecular orbital diagram below for carbon dioxide. Refer to the molecular orbitals…

A: Given is the molecular orbital diagram for carbon dioxide molecule.

Concept explainers

Quantum Mechanical Treatment of the Valence Bond Theory

Quantum mechanical treatment of valence bond theory refers to the relationship established between the quantum mechanical theory and the valence bond theory to describe the chemical bonding in a particular molecule.

Question

4. (a) Use the simple one-electron molecular orbital method, including overlap, to
calculate the energies of the molecular orbitals of the hydrogen molecule (H₂) in
terms of a, ß and S?
(b) Calculate & given that a = -13.6 eV, that S = 0.6, and that the lowest UV absorption
energy is 12 eV.
(c) Determine the ionisation energy of the bonding molecular orbital in H₂ ? [6 marks]

Expert Solution

This question has been solved!

Explore an expertly crafted, step-by-step solution for a thorough understanding of key concepts.

SEE SOLUTION Check out a sample Q&A here

Step 1

VIEW

Step 2

VIEW

Step 3

VIEW

Step by step

Solved in 3 steps with 2 images

SEE SOLUTION Check out a sample Q&A here

Knowledge Booster

Quantum Mechanical Treatment of Valence Bond Theory

Learn more about

Need a deep-dive on the concept behind this application? Look no further. Learn more about this topic, chemistry and related others by exploring similar questions and additional content below.

Similar questions

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.
(a) Draw a Lewis diagram for formaldehyde (H,CO), and decide the hybridization of the central carbon atom. (b) Formulate the molecular orbitals for the molecule. (c) A strong absorption is observed in the ultraviolet region of the spectrum and is attributed to a → T* transition. Another, weaker transition is observed at
(b) in a particular photoelectron spectrum using 21.21 ev photons, electrons were ejected with kinetic energies of 11.01 ev, 8.23 ev, and 5.22 ev. Sketch the molecular orbital energy level diagram for the species, showing the ionization energies of the three orbitals.
(a) Use the simple one-electron molecular orbital method, including overlap, to calculate the energies of the molecular orbitals of the hydrogen molecule (H2) in terms of α, β and S?
(a) prepare a molecular orbita; energy level diagram for the cyanide ion, CN-. (b) What is the bond order of cyanide, and how many unpaired electrons are there? (c) Which molecular orbital of CN- would you predict to interact strongly with a hydrogen 1s orbital to form a H-C bond in the reaction CN- + H+ = HCN?
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.
8) Consider the heteronuclear diatomic molecule, HCl with bonding orbital given by, citation legg W, = 0.205,H +0.98º3p,cI %D ght ventric FULL PRIC where ø is the (normalized) hydrogen 1s orbital and o,, c is the (normalized) chlorine BOG 3pz orbital. Assume that the atomic overlap integral is zero, | WisH W3p.cadt = 0. %3D all space a) Show that the bonding molecular orbital is normalized. Shot 232 PM BOO and B, b) What is the energy of the bonding orbital? Write your answer in terms of a,, ,a,,. T COS which are defined by: АМ Shbt 25PM ght ventric | V1s,H Hw cdt = | 4 1s,H RENT & || all space all space Che pulmc vein | Wis.H HySHdt =a,, and cdt = d3p. 1s, 3 Pz,CI right atriursen Shot 2021-02 5.56 PM pulmonary valve all space all space W étv A APR 4 29 260 Book A DD F11 F10
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.
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)?
3
(b) In the construction of the molecular orbital diagram of a polyatomic molecule (SF6), 12 valence electrons are used to occupy 10 MO; account for the origin of the 12 electrons and the 10 MOs
(a) Dihydrogen cation H2+ is commonly found in interstellar space. It can be generated by ionization of dihydrogen molecule H2. What electromagnetic radiation can be used to generate the H2+ cation? (b) Construct an energy level diagram for the molecular orbitals of the H2+ cation. What is the bond order of the HH bond in the H2+ cation? (c) Suggest a spectroscopic method for differentiation of H2 gas and the H2+ cation. Explain your answers.