b) Given the following symmetry related linear combinations (SALC's) of the 2p-orbitals on the Cl atoms illustrated below, determine their characters to the symmetry operations of D₂ and their overall symmetry. Use extra pages as necessary. y y FB Pd-FA A For the upper left SALC: E D2h- 1 UpLft | t For the upper right SALC: Dab I UpRt I E B 8 C(z) C₂(y) C₂(x) i 4 4 4 FB Pd-FAX (z-axis is also directed toward you) C(z) C₂(y) C₂(x) i -1 1 B o(xy) o(xz) (yz) o(xy) o(xz) o(yz)

Assign the correct point group to each of the following molecules. In each case and using the strict rules of symmetry analysis, specifically indicate whether each molecule/ion has a dipole or no dipole and whether it is chiral or achiral. H CI g) CI CI 4- h) CI em/ Он HO hydrogens angled out of the ring plane by 45°

1 a) Build the LCAO-MO (eigenfunctions of Ŝ2) Slater determinants for the electronic ground state of B2 and C2. b) Build the Valence-bond treatment Slater determinants for the electronic ground state of B2 and C2. c) What is the bond order of the two molecules in the LCAO-MO (from (a))? Does valence-bond treatment predict a bond? Compare the two approaches generally.

1. (7 points) Symmetry is an important topic in chemistry because the symmetry of a molecule may affect its physical and chemical properties. One important task is to identify the point group of a given molecule. Please complete the following tasks for each molecule. Molecule Any LC₂ ? Any oh? Any ov? Point Highest symmetry rotation Group CI H H P H H H H H + CI cl H H 2- H H Br Br H H CI OC MICO OC CO CO

(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?

Identify the symmetry species of the Symmetry Adapted Linear Combination (SALC) ? = ?′ − ?′′ in the C2v molecule NO2, where ?′ is a 2px orbital on one O atom and ?′′ is a ???? 2px orbital on the other O atom.

D3h Г E 6 Reduce the following representation into its irreducible components 2C3 2S3 30v 3 1 4 3C₂ Oh 2 4

Find out the molarity of an old KOH solutionYou measure 1.456 g of KHP (MW=204.22 g/mole) dissolve it in 50.0 of H20 add an indicator and begin to titrate with the old KOH KHP (aq) +KOH (aq) =K2P (aq) +H2O (l) the initial and volume burette readings are 1.35 mL & 24.3 mL then what is the concentration of KOH ?

Using group theory and the stretching mode of CO, predict how many IR active vibrational modes you should have for A. Mo(CO)6 and B. (1,3,5-C6H3(CH3)3)Mo(CO)3

Using the relationships imposed by the orthogonality theorem, predict the characters, XK(R), that have been omitted from this table, and match each with its correct value. All symmetry elements and irreducible representations (labelled with subscripts k = 1, 2, 3, 4, and 5) are included in this table. + X2(C3) ◆ X3(C₂) + X4(0d) X5(E) - ₁₁ [₂ [3 T4 [5 E 1 3 1 3 _?___ 6 S4 8 C3 1 1 1 -1 T -1 0 ? 1 0 -1 A. 1 B.-2 C. 2 D.-1 E. 3 F. 0 3 C₂ 1 -1 ? 어 -1 2 60d 1 -1 -1 ? O