Physical Chemistry
2nd Edition
ISBN: 9781133958437
Author: Ball, David W. (david Warren), BAER, Tomas
Publisher: Wadsworth Cengage Learning,
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Textbook Question
Chapter 15, Problem 15.50E
Using the Internet, find a Hückel determinant solver and determine the relative energies of the
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How do you write the Huckel determinant for the pi electrons of butadiene? How would you find the energies of the molecular orbitals?
Can you please calculate the delocalization energy for the cyclopropene cation and also sketch the three pi molecular orbitals showing the location of the nodes?
TOPIC: QUANTUM, ATOMIC AND MOLECULAR PHYSICIS
(a) Using Hückel's method, describe the energy of the molecular orbitals T of cyclobutadiene C4H4,
which is a flat molecule made up of a square ring of carbons, as shown in the figure;
(b) Do the same for 1,3-butadiene C4H6, which is an elongated planar molecule, as shown in the figure.
(c) In both cases, draw an energy diagram indicating the filling of the orbitals and identifying the HOMO and the LUMO. Sketch by hand
schematically (using two colors to distinguish the lobes from the 2pz orbitals) the result obtained for the orbitals, identifying them with
the corresponding energy. If possible, you can use the Orbital Viewer program to plot the orbitals.
Chapter 15 Solutions
Physical Chemistry
Ch. 15 - Linearly polarized light can be assigned a...Ch. 15 - Linearly polarized light can be assigned a...Ch. 15 - Prob. 15.3ECh. 15 - Determine the value of R for deuterium (2H) and...Ch. 15 - Prob. 15.5ECh. 15 - Draw a Grotrian-type diagram for the first four...Ch. 15 - What is the value of the change in energy, E, for...Ch. 15 - Prob. 15.8ECh. 15 - List the possible values of L, ML, S, MS, J, and...Ch. 15 - Prob. 15.10E
Ch. 15 - Prob. 15.11ECh. 15 - Prob. 15.12ECh. 15 - Prob. 15.13ECh. 15 - What is the term symbol for the ground state of a...Ch. 15 - Prob. 15.15ECh. 15 - Prob. 15.16ECh. 15 - Prob. 15.17ECh. 15 - Prob. 15.18ECh. 15 - Prob. 15.19ECh. 15 - Prob. 15.20ECh. 15 - Prob. 15.21ECh. 15 - Prob. 15.22ECh. 15 - Use Hunds rules to predict the term symbol of the...Ch. 15 - Prob. 15.24ECh. 15 - Prob. 15.25ECh. 15 - An Mg atom is in the excited electron...Ch. 15 - Prob. 15.27ECh. 15 - Prob. 15.28ECh. 15 - Prob. 15.29ECh. 15 - Prob. 15.30ECh. 15 - Use group-theoretical arguments to determine the...Ch. 15 - The GeF molecule, which exists in the gas phase at...Ch. 15 - The SrH molecule in a 2+ electronic ground state....Ch. 15 - Prob. 15.34ECh. 15 - What are the values of and for NF in its 3...Ch. 15 - Prob. 15.36ECh. 15 - Determine the ground-state term symbol of the...Ch. 15 - Prob. 15.38ECh. 15 - Prob. 15.39ECh. 15 - Prob. 15.40ECh. 15 - Prob. 15.41ECh. 15 - Prob. 15.42ECh. 15 - The 1, 1'-diethyl-2, 2'-dicarbocyanine cation has...Ch. 15 - Prob. 15.44ECh. 15 - Naphthacene, C18H12, consists of four benzene...Ch. 15 - Prob. 15.46ECh. 15 - Prob. 15.47ECh. 15 - Construct the Hckel determinants for...Ch. 15 - Prob. 15.49ECh. 15 - Using the Internet, find a Hckel determinant...Ch. 15 - Prob. 15.51ECh. 15 - Explain why cyclopentadiene easily accepts an...Ch. 15 - Prob. 15.53ECh. 15 - Prob. 15.54ECh. 15 - Prob. 15.55ECh. 15 - Prob. 15.56ECh. 15 - Prob. 15.57ECh. 15 - Prob. 15.58ECh. 15 - Would the light from fireflies be considered an...Ch. 15 - Prob. 15.60ECh. 15 - Prob. 15.61ECh. 15 - Prob. 15.62ECh. 15 - How many 632.8-nm photons must a He-Ne laser emit...Ch. 15 - Prob. 15.64ECh. 15 - Green He-Ne lasers are also available; they emit...Ch. 15 - Blu-ray disks and high-density DVDs use an indium...Ch. 15 - Prob. 15.67ECh. 15 - Explain why X-ray lasers would be extremely...Ch. 15 - Prob. 15.69E
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