Physical Chemistry
2nd Edition
ISBN: 9781133958437
Author: Ball, David W. (david Warren), BAER, Tomas
Publisher: Wadsworth Cengage Learning,
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Chapter 13, Problem 13.29E
Determine the point groups of the following molecules. (a)
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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 α, β and S?
Many of the colours of vegetation are due to electronic transit ions in conjugated π-electron systems. In the freeelectron molecular orbital (FEMO) theory. the electrons in a conjugated molecule are treated as independent particles in a box of length L. (a) Sketch the form of the two occupied orbitals in butadiene predicted by this model and predict the minimum excitation energy of the molecule. (b) In many cases. an extra half bond-length is often added at each end of the box. The tetraene CH2=CHCH=CHCH=CHCH=CH2 can therefore be t reated as a box of length 8R. where R = 140 pm. Ca lcu late the minimum excitation energy of the molecule and sketch the HOMO and LUMO.
Chapter 13 Solutions
Physical Chemistry
Ch. 13 - In your own words, explain why an object that has...Ch. 13 - Identify the symmetry elements present in the...Ch. 13 - Identify the symmetry elements present in the...Ch. 13 - Prob. 13.4ECh. 13 - Prob. 13.5ECh. 13 - Prob. 13.6ECh. 13 - Prob. 13.7ECh. 13 - Prob. 13.8ECh. 13 - Any axis of symmetry Cn that rotates an object by...Ch. 13 - Prob. 13.10E
Ch. 13 - Prob. 13.11ECh. 13 - Prob. 13.12ECh. 13 - Prob. 13.13ECh. 13 - What are the number of classes and the order of...Ch. 13 - Prob. 13.15ECh. 13 - a Show that the C3v point group satisfies the...Ch. 13 - a In the Td point group, an S41 improper rotation...Ch. 13 - Determine which single symmetry operation of the...Ch. 13 - Prob. 13.19ECh. 13 - Prob. 13.20ECh. 13 - Prob. 13.21ECh. 13 - Figure 13.27 shows the structure of the molecule...Ch. 13 - Prob. 13.23ECh. 13 - Identify all the symmetry elements present in the...Ch. 13 - Point groups are called such because all of the...Ch. 13 - Determine the point groups of the following...Ch. 13 - Determine the point group of the following...Ch. 13 - Determine the point groups of the following...Ch. 13 - Determine the point groups of the following...Ch. 13 - Structural isomers can have very different point...Ch. 13 - Structural isomers can have very different point...Ch. 13 - Prob. 13.32ECh. 13 - Identify the point group of the wave functions of...Ch. 13 - Identify the point group of the wave functions of...Ch. 13 - Prob. 13.35ECh. 13 - Determine if the following species have permanent...Ch. 13 - Determine if the following species have permanent...Ch. 13 - Which of the following species will not have...Ch. 13 - Prob. 13.39ECh. 13 - Explain why a molecule with a center of inversion...Ch. 13 - a Unlike methane, bromochlorofluoromethane...Ch. 13 - Prob. 13.42ECh. 13 - Prob. 13.43ECh. 13 - Prob. 13.44ECh. 13 - Show that the irreducible representations of the...Ch. 13 - Show that any two of the irreducible...Ch. 13 - Show that any irreducible representation of these...Ch. 13 - Explain why this proposed irreducible...Ch. 13 - Prob. 13.49ECh. 13 - Prob. 13.50ECh. 13 - Why is it unnecessary to consider whether an...Ch. 13 - Prob. 13.52ECh. 13 - Prob. 13.53ECh. 13 - Prob. 13.54ECh. 13 - Prob. 13.55ECh. 13 - Prob. 13.56ECh. 13 - Prob. 13.57ECh. 13 - Prob. 13.58ECh. 13 - Reduce the following reducible representations...Ch. 13 - Determine the resulting representations for the...Ch. 13 - Prob. 13.61ECh. 13 - Without using the great orthogonality theorem,...Ch. 13 - Assume that you are evaluating the integral of...Ch. 13 - Prob. 13.64ECh. 13 - Assume that x- polarized light can be assigned an...Ch. 13 - Prob. 13.66ECh. 13 - Prob. 13.67ECh. 13 - Prob. 13.68ECh. 13 - Prob. 13.69ECh. 13 - Prob. 13.70ECh. 13 - Construct the symmetry-adapted linear combination...Ch. 13 - Prob. 13.72ECh. 13 - Prob. 13.73ECh. 13 - Prob. 13.74ECh. 13 - Prob. 13.75ECh. 13 - Prob. 13.76ECh. 13 - Prob. 13.77ECh. 13 - Suppose you use p0,p1 and p+1 along with s...Ch. 13 - Show that the individual sp orbitals, as written...Ch. 13 - Prob. 13.80ECh. 13 - What is the rough hybridization of the carbon...Ch. 13 - Determine the symmetry species of the D3h point...Ch. 13 - Determine the D3h symmetry species of the sp3d...Ch. 13 - Prob. 13.84ECh. 13 - In propene CH3CH=CH2, the first carbon has sp3...Ch. 13 - Prob. 13.87ECh. 13 - Prob. 13.88ECh. 13 - Prob. 13.89E
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- Which of the following molecular ions is paramagnetic and has a bond order equal to 2? (A) B22– (B) C22– (C) N22– (D) O22–arrow_forwardWhich of the following objects is chiral: (a) a left shoe,(b) a slice of bread, (c) a wood screw, (d) a molecular modelof Zn(en)Cl2, (e) a typical golf club?arrow_forwardWhich of the following molecules and ions has (a) a center of inversion, (b) an S4 axis: (i) CO2, (ii) C2H2, (iii) BF3, (iv) SO42-? You must explain your answer in each.arrow_forward
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- 6) Given below are the molecule BH3, its character table, and its molecular orbital diagram. By convention, the z-axis lies along the principal rotation axis: (a) What Mulliken symbol represents the symmetry of the MOs I-V? (b) Which of the given atomic orbitals on boron would match the MOS I-V? (c) Depict the in-phase (bonding) and out-of-phase (anti-bonding) of these MOS. B 2p orbitals B 2s orbitals II H 2s orbitals D₂ A, A₂' A," E" 1 1 2 1 1 2 2C, 3C₂ 0₂ 25, 1 1 1 1 1 -1 1 -1 1 -1 0 1 2 -1 -1 30, 1 1 -1 R₂ -1 0 -1 -1 -1 1 1 0 (x, y) (R., R.) x+y²,2² (x²-y, xy) (xz, yz)arrow_forwardDescribe the hybrid orbitals on the chlorine atom in theClO3+and ClO2+ molecular ions. Sketch the expected geometries of these ions.arrow_forwardThe molecule PtCl 2 - is an important square planar starting material in synthetic inorganic chemistry. Using the p orbitals of Cl as the basis find the irreducible representations of the p orbitals and indicate which orbitals could possibly overlap with any of the orbitals on Pt . Assume that the pz orbitals on Cl are orientated in the same direction as the principle rotation axis, px orbitals are pointed at the Pt , and the py orbitals are orthogonal to the px orbitals. Show the characters of each orbital and identify which orbitals on Pt would match from a pure symmetry standpoint.arrow_forward
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