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- Determine the point group of the following molecules. a cis1,2 Dichloroethylene b trans1,2 Dichloroethylene c Toluene, C6H5CH3 d 1,3-Cyclohexadiene.Figure 13.27 shows the structure of the molecule porphine. Figure 13.27 The structure of porphine. Determine the symmetry elements present in the molecule, and its point group. Does the point group change if an Fe2+ ion is substituted for the two hydrogen atoms in the center of the porphine ring?Determine the point groups of the following molecules. a Hydrogen selenide, H2Se b Partially deuterated hydrogen sulfide, or HDS c The chair conformer of cyclohexane, C6H12 d The boat conformer of cyclohexane, C6H12
- Determine the point groups of the following molecules. a Fe(CO)5, which has a trigonal bipyramidal structure, b CO32, which has three resonance structures that contribute to its overall shape, c The perfectly staggered conformation of ethane, d The perfectly eclipsed conformer of ethane.Structural isomers can have very different point groups. There are three isomers of dichlorobenzene. Identify the point groups of the three isomers.Following the pattern of Figure 6.21, work out the correlation diagram for the CN molecule, showing the relative energy levels of the atoms and the bonding and anti-bonding orbitals of the molecule. Indicate the occupation of the MOs with arrows. State the order of the bond and comment on the magnetic properties of CN.
- 4. For each of the following molecules: i. Determine the point group. ii. Determine r (red) as a direct sum of irreducible representations for xyz motion of each atom in the molecule. ii. Determine I (vib) as a direct sum of irreducible representations for molecular vibrations. a. þ,F, b. ХeFsa.) Sketch the normal vibrational modes of acetylene and identify the infared inactive ones. b.) Sketch a vibrational energy level diagram below 4000 cm^-1 for acetylene and identify the fundamental transitions. c.) Use group theory to assign acetylene's point group.4. For each of the following molecules: i. þetermine the point group. ii. Determine r (red) as a direct sum of irreducible representations for xyz motion of each atom in the molecule. iii. Determine I (vib) as a direct sum of irreducible representations for molecular vibrations. a. soCI, (thionyl chloride) b. CH,0 (formaldehyde)
- 7- Decrease the point group in Trans-AB:C2 makasule with changing one atom and determine the point group before and after the changing.SO2 belongs to which point group? S. C2v.A O C2h .BO Dooh.cO C2.DO7. The following character table (accompanied by a molecule of the corresponding point group) has some missing information. E 2 C3 3 C2 ? 2 S3 3 oy X1 1 1 1 1 1 x2+ y?, z2 A2 1 1 -1 1 -1 Rz E' 2 -1 2 -1 (х, у) (x2- у?, ху) A," 1 X2 1 -1 -1 -1 A2" 1 1 -1 -1 -1 1 X3 BH3 E" 2 -1 -2 1 (Rx, Ry) (zx, yz) а. Based on symmetry labels and Mulliken symbols, what is the missing symmetry element? b. Provide the missing information in the table: i. X1 = ii. X2 = iii. X3 = С. For this point group, what is the symmetry of the following orbitals for an atom located along the main C3 axis? i. А Рх orbital: ii. A d,? orbital: iii. A dxy orbital: