6.a)C2's.Phosphorus pentafluoride PF5 belongs to D3h symmetry group.Draw the structure of the molecule, identify principal axis of rotation and perpendicular(4 points)b)assume that the principal axis of rotation is aligned with z axis, assign symmetry labels(such as a1, b2, etc.) to the following atomic orbitals of the P atom. (character table for this groupis included in the Supplemental material).3s3pz(6 points)3dz²

Step 1: Step 2: Step 3: Step 4:

Answered: 6. a) C2's. Phosphorus pentafluoride…

Physical Chemistry

2nd Edition

ISBN:9781133958437

Author:Ball, David W. (david Warren), BAER, Tomas

Publisher:Ball, David W. (david Warren), BAER, Tomas

Chapter14: Rotational And Vibrational Spectroscopy

Section: Chapter Questions

Problem 14.13E

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(b) Calculate the bond order in the peroXiue lon 0) (c) Which of these species has the stronger bond? Og (superokide) is Stronger 8) Draw three canonical Lewis structures for ozone. it 9) In a quantum mechanical calculation on ethene, 116 atomic orbital basis functions were used. After symmetry adapting these functions, there were 23 functions of a, symmetry, 7 functions of b, symmetry, 11 functions of b2, symmetry, 17 functions of b3g symmetry, 7 of a, symmetry, 23 of bu symmetry, 17 functions of b2u symmetry, and 11 of b3u symmetry. (a) How many molecular orbitals will be formed in the calculation? (b) How many of these molecular orbitals will be occupied in the ground state? (c) How many of the molecular orbitals will be of ungerade symmetry?
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)
4
The tetrahedral borohydride anion (BH4) has Ta symmetry and is commonly used as a reductant in organic chemistry. a) Using the Ta character table, identify the labels for the 2s and 2p orbitals of the B atom. b) Based upon the tetrahedral symmetry of the BH4 anion give a reducible representation for the combination of the four Is orbitals of the H atoms.
P7.B* Sketch a MO energy level diagram for H2– in the ground state, show electrons by spin-arrows. Specify the number of unpaired electrons. Write down the ground-state electronic configuration for the anion and its MO wave function.
5. (2 points) Consider ethylene, and acetylene ethylene acetylene (a) Draw three-dimensional diagrams of each molecule. Label the hybridization of each carbon, and show all sigma and pi bonds. (b) Which of these molecules has the shortest bond length? Which has the longest? In each of these molecules, where is the largest electron density located in space?
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9) Draw sketches of the resulting bonding and antibonding molecular orbitals from combing the following atomic orbitals; don't forget to indicate orbital phase. Label each as having o or π type symmetry. a) b) c) + 8.8 d) f) 88
6. Which symmetry elements are lost on going from (a) BC13 to BCl2F and (b) BC12F to BBRCIF. Which symmetry elements are common to all these molecules?
(a) Draw the molecular orbital diagram for hydrofluoric acid, HF. Be sure to clearly label orbital symmetry and indicate which orbitals are occupied by electrons.
Describe the [3,3] sigmatographic rearrangement as a simmetry of the orbital.
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