Principles of Modern Chemistry
8th Edition
ISBN: 9781305079113
Author: David W. Oxtoby, H. Pat Gillis, Laurie J. Butler
Publisher: Cengage Learning
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Chapter 6, Problem 38P
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Consider the molecular orbital diagram below for carbon dioxide. Refer to the molecular orbitals using the letters on the far right of the diagram
(a) Identify the HOMO to LUMO transition by reporting the initial and final orbitals for each transition. Then calculate the wavelength [in nanometers] and frequency [in Hz] for the photon involved in
the transition if the energy change is 2.0 eV.
(b) Identify the m\pitT-to-TT\piT* and n-to-TT\piTT* transitions by reporting the initial and final orbitals for each transition. Your textbook states than typical transition energies are 7eV (TT\piTT-to-TT\piTT*) and
4 ev (n-to-TT\pir*). Even though the diagram here does not give numerical values for energies, you can still make use of this typical behavior to give you confidence in your answers.
DFT BILYP 6-311++G(d.p)
G
2Px 2Py 2P
2P 2Py 2P
11
E
25
D
В
A
one pai
20
Correlate the photoelectron spectra of N2 and O2 with their respective molecular orbital diagrams.
Three biologically Important diatomic species,either because they promote or inhibit life, are (a) CO, (b) NO, and (c) CN−. The first binds to hemoglobin, the second is a chemical messenger, and the third interrupts the respiratory electron transfer chain. Their biochemical action is a reflection of their orbital structure. Deduce their ground-state electron configurations using sigma and pi. (Draw MO). Show how you get electron configuration below using MO?
Chapter 6 Solutions
Principles of Modern Chemistry
Ch. 6 - Determine the number of nodes along the...Ch. 6 - Determine the number of nodes along the...Ch. 6 - Sketch the shape of each of the molecular...Ch. 6 - Sketch the shape of each of the molecular...Ch. 6 - Compare the electron density in the 1g and 1u*...Ch. 6 - Explain why 1g is the ground state for H2+ . By...Ch. 6 - Prob. 7PCh. 6 - Predict the ground electronic state of the He22+...Ch. 6 - Prob. 9PCh. 6 - Prob. 10P
Ch. 6 - Without consulting tables of data, predict which...Ch. 6 - Without consulting tables of data, predict which...Ch. 6 - Without consulting tables of data, on the same...Ch. 6 - Without consulting tables of data, on the same...Ch. 6 - Suppose we supply enough energy to H2 to remove...Ch. 6 - Suppose we supply enough energy to He2+ to remove...Ch. 6 - Prob. 17PCh. 6 - When one electron is added to an oxygen molecule,...Ch. 6 - Predict the valence electron configuration and the...Ch. 6 - Predict the valence electron configuration and the...Ch. 6 - Prob. 21PCh. 6 - For each of the following valence electron...Ch. 6 - For each of the electron configurations in Problem...Ch. 6 - For each of the electron configurations in Problem...Ch. 6 - Following the pattern of Figure 6.21, work out the...Ch. 6 - Following the pattern of Figure 6.21, work out the...Ch. 6 - The bond length of the transient diatomic molecule...Ch. 6 - The compound nitrogen oxide (NO) forms when the...Ch. 6 - What would be the electron configuration for a HeH...Ch. 6 - The molecular ion HeH+ has an equilibrium bond...Ch. 6 - Prob. 31PCh. 6 - Predict the ground state electronic configuration...Ch. 6 - The bond dissociation energies for the species NO,...Ch. 6 - The ionization energy of CO is greater than that...Ch. 6 - Photoelectron spectra were acquired from a sample...Ch. 6 - Photoelectron spectra were acquired from a sample...Ch. 6 - Prob. 37PCh. 6 - From the n=0 peaks in the photoelectron spectrum...Ch. 6 - The photoelectron spectrum of HBr has two main...Ch. 6 - The photoelectron spectrum of CO has four major...Ch. 6 - Write simple valence bond wave functions for the...Ch. 6 - Write simple valence bond wave functions for the...Ch. 6 - Both the simple VB model and the LCAO method...Ch. 6 - Both the simple VB model and the LCAO method...Ch. 6 - Write simple valence bond wave functions for...Ch. 6 - Write simple valence bond wave functions for...Ch. 6 - Write simple valence bond wave functions for the...Ch. 6 - Write simple valence bond wave functions for the...Ch. 6 - Formulate a localized bond picture for the amide...Ch. 6 - Formulate a localized bond picture for the...Ch. 6 - Prob. 51PCh. 6 - Draw a Lewis electron dot diagram for each of the...Ch. 6 - Describe the hybrid orbitals on the chlorine atom...Ch. 6 - Describe the hybrid orbitals on the chlorine atom...Ch. 6 - The sodium salt of the unfamiliar orthonitrate ion...Ch. 6 - Describe the hybrid orbitals used by the carbon...Ch. 6 - Describe the bonding in the bent molecule NF2 ....Ch. 6 - Describe the bonding in the bent molecule OF2 ....Ch. 6 - The azide ion (N3) is a weakly bound molecular...Ch. 6 - Formulate the MO structure of (NO2+) for localized...Ch. 6 - Discuss the nature of the bonding in the nitrite...Ch. 6 - Discuss the nature of the bonding in the nitrate...Ch. 6 - The pyridine molecule (C5H5N) is obtained by...Ch. 6 - For each of the following molecules, construct the...Ch. 6 - (a) Sketch the occupied MOs of the valence shell...Ch. 6 - Calcium carbide (CaC2) is an intermediate in the...Ch. 6 - The B2 molecule is paramagnetic; show how this...Ch. 6 - The Be2 molecule has been detected experimentally....Ch. 6 - Prob. 69APCh. 6 - The molecular ion HeH+ has an equilibrium bond...Ch. 6 - The MO of the ground state of a heteronuclear...Ch. 6 - The stable molecular ion H3+ is triangular, with...Ch. 6 - According to recent spectroscopic results,...Ch. 6 - trans-tetrazene (N4H4) consists of a chain of four...
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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
- Give the ground-state electron configurations of (i) CO, (ii) NO, and (iii) CN−.arrow_forwardN2 and CN' are both isoelectronic. (i) Draw the molecular orbital diagram for N2 and CN molecules. (ii) Explain why CN is a toxic substance but N2 isn't. (iii) N2(g) is an inert gas that is suitable for a wide range of application. Would you expect N2" to be a stable diatomic species in the gaseous state? Explain your answer.arrow_forwardPredict the ground state electronic configurations of CF, CH, CH+, and CN-. Do any of them have unpaired electrons?arrow_forward
- Write the va lence bond wavefunction of a P2 molecule. Why is P4 a stable form of molecular phosphorus?arrow_forwardThree biologically Important diatomic species,either because they promote or inhibit life, are (a) CO, (b) NO, and (c) CN−. The first binds to hemoglobin, the second is a chemical messenger, and the third interrupts the respiratory electron transfer chain. Their biochemical action is a reflection of their orbital structure. Deduce their ground-state electron configurations using sigma and pi. (Draw MO)arrow_forwardWrite the electron configuration including the population of all partially filled subs-shells for Cd2+.arrow_forward
- . Figure 8–59 illustrates an H,O molecule. The O-H bond length is 0.096 nm and the H- 0-H bonds make an angle of 104°. Calculate the moment of inertia of the H2O molecule (assume the atoms are points) about an axis passing through the center of the oxygen atom (a) perpendicular to the plane of the molecule, and (b) in the plane of the molecule, bisecting the H-0-Hbonds. H |104° FIGURE 8–59 H Problem 82.arrow_forwardIn the roots of legumes there are bacteria, which have the ability to trap atmospheric N2 by breaking the bond between N atoms and converting nitrogen, under normal conditions, to ammonia. How many electrons are added and to which orbitals of N2 during this conversionarrow_forwardHow would you explain the role of electron correlation in the accurate determination of molecular properties, and what is the significance of this correlation in quantum chemistry calculations?arrow_forward
- What is the ground state electron configuration of a Co²+ ion? O1s22s22p 3s³3p64s²3d5 O 1s22s²2p 3s³3p63d7 O 1s22s22p 3s 3p 4s²3d7 O1s²2s22p 3s³3p64s¹3d6arrow_forwardWhy is the quantum molecular orbital model of the oxygen molecule the only accurate depiction of it? Why can't a good Lewis dot structure that captures all of the properties of oxygen (double bond and also two unpaired electrons) be drawn?arrow_forwardRelate the energies of the orbitals found (these we will use for building Molecular Orbital energy level diagrams) to Z*, also known as Zeff, determined by Slater’s rules Please show calculations for the following: H (1s electron) He (1s electron)arrow_forward
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