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- 3. Complete the statements below to give the specific selection rules for microwave absorption spectroscopy and rotational Raman spectroscopy for a diatomic molecule treated as a rigid rotor in terms of the quantum number J. For microwave absorption spectroscopy, AJ = For rotational Raman spectroscopy, AJ =3. If a hypothetic vibrational motion of a molecule can be described by Tvib = 2A1 + E, within the point group C4v, how many bands/peaks would you expect to see in its IR spectrum? Explain your reasoning. C, (4mm) E 2C, C, 20, 20. h = 8 1 1 1 1 x² + y', z2 A, 1 1 1 -1 -1 R_ B, 1 -1 1 1 -1 x² – y? B, 1 -1 1 -1 1 xy 2 -2 0 0 (x, y) (R, R) (zx, yz)1. 1H 19F has a force constant of 966 N m-1. Calculate the frequency of light corresponding to the lowest energy pure vibrational transition. The mass of 1H = 1.008 amu, the mass of 19F is 18.9984 amu, and 1 amu = 1.661 x 10-27 kg. 2. Draw Tryptophan in a peptide bond. Explain all of the bonds using valence bond theory (VBT). Next, explain where VBT fails and how molecular orbital theory is a better description of key regions of this amino acid and the peptide bonds it forms with other residues. 3. Below are the molecular orbital diagrams for B2, C2, and N2. Please use it to predict the bond order for B2, B2+ ,B2 -, C2, C2+, C2 -, N2, N2+, and N2-. Which of these molecules or ions would be paramagnetic? (The diagram has been attached) 4. What are the shapes of the molecular orbitals described in 3 above?
- 1. The lowest energy transition (J=0 --> J=1) in teh pure rotational spectrum of 12C16O occures ar 3.8026 cm-1. Calculate the rotational constant, B in Joules (1cm-1 = 100hc = 1.987*10-23 J) b. Calculate the bond length in meters for the diatomic in part a. c. What would be the energy of the first peak if the molecule were changed to 13C16O. Assume the bond length does not change from waht was calculated in the previous question.Calculate the percentage difference in the fundamental vibrational wavenumbers of 23Na35Cl and 23Na37Cl on the assumption that their force constants are the same. The mass of 23Na is 22.9898mu.The stretching frequencies for H2, HD, and D2 are 4395, 3817, and 3118 cm-1 respectively. Why? Explain.
- The normal mode shown below corresponds to the uniform expansion of a benzene ring. Is this mode IR active? Is it Raman active? Explain.1. Water shows the following vibrations: A₁ symmetrical stretch at 3657 cm ¹, B2 asymmetrical stretch at 3756 cm ¹, A₁ deformation at 1595 cm ¹¹. Determine which vibrations are active in IR absorption spectra and which are active in Raman spectra.If a hypothetic vibrational stretching (under the point group D3h) was described as Gvib = 2A1" + E' + E". How many vibrational modes are there? 4