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3 Convert the following infrared wavelengths to cm-1
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3.38 mm, typical for a saturated C¬H bond
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- Chemistry Let ωCH be the angular frequency of the C-H bond stretching vibration observed in theIR spectrum of an organic molecule. (Note that angular frequency ω = 2πν). EstimateωC2H, the bond stretching frequency when 1H is substituted by 2H in the molecule.(Express ωC2H in terms of ωCH).(a) Draw a Lewis diagram for formaldehyde (H,CO), and decide the hybridization of the central carbon atom. (b) Formulate the molecular orbitals for the molecule. (c) A strong absorption is observed in the ultraviolet region of the spectrum and is attributed to a → T* transition. Another, weaker transition is observed at4. (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 a, ß and S? (b) Calculate & given that a = -13.6 eV, that S = 0.6, and that the lowest UV absorption energy is 12 eV. (c) Determine the ionisation energy of the bonding molecular orbital in H₂ ? [6 marks]
- Electronic excitation of a molecule may weaken or strengthen some bonds because bonding and antibonding characteristics differ between the HOMO and the LUMO. For example, a carbon–carbon bond in a linear polyene may have bonding character in the HOMO and antibonding character in the LUMO. Therefore, promotion of an electron from the HOMO to the LUMO weakens this carbon–carbon bond in the excited electronic state, relative to the ground electronic state. Consult Figs. 9E.2 and 9E.4 and discuss in detail any changes in bond order that accompany the π*←π ultraviolet absorptions in butadiene and benzene.9A.2 Write the valence bond wavefunction of the o bond in a C-H group of a molecule.Convert the following infrared wavelengths to cm-1. 3.03 mm, typical for an alcohol O¬H
- Vibrational Spectroscopy When an atom in a bond is replaced with a different isotope of the same element, the reduced mass of the bonded atoms change the absorption of the vibration in the infrared (vibrational) spectrum. The wavenumber of a vibration is given by v = ¹, where k = force constant of the bond, μ = 2π reduced mass. Reduced Mass: μ = 1 " where m₁ and m2 are the mass of each attached atom. Assuming the force constant of a particular pair of atoms does not change when one or the other atom is substituted with an isotope, the magnitude of the vibrational shift can be determined from a ratio of the two vibrations. V₁ V₂ 1 k₁ 2π √1 1 k₂ 2π√√1₂ 1. An O-H stretch occurs at 3650 cm¹. What is the expected vibrational wavenumber of an O-D bond? 2. An NH3 stretch occurs at 3337 cm¹. At what wavenumber does the ND3 vibration occur? 3. An IR spectrum of a complex containing an Ru-O bond is depicted to the right. When 0-16 is substituted with 0-18, the vibration at 887 cm¹ appears to…9. Consider the ethyl iodide molecule, CH CH₂, which of the statements below is correct? (A) CH, protons are more deshielded. (B) The energy gap between a and ß spin states of CH₂ protons is smaller than the counterpart of CH; protons. (C) The electronegative element I shields the CH₂ protons. (D) None of the above.2. Estimate the energy spacing between adjacent rotational features one would expect for CO, which exhibits a bond length of 1.12 Å and a dipole moment of 0.12 D. (1D = 3.3 x 10- 30 Cm)
- TOPIC: QUANTUM, ATOMIC AND MOLECULAR PHYSICIS (a) Using Hückel's method, describe the energy of the molecular orbitals T of cyclobutadiene C4H4, which is a flat molecule made up of a square ring of carbons, as shown in the figure; (b) Do the same for 1,3-butadiene C4H6, which is an elongated planar molecule, as shown in the figure. (c) In both cases, draw an energy diagram indicating the filling of the orbitals and identifying the HOMO and the LUMO. Sketch by hand schematically (using two colors to distinguish the lobes from the 2pz orbitals) the result obtained for the orbitals, identifying them with the corresponding energy. If possible, you can use the Orbital Viewer program to plot the orbitals.Consider HCN, which has three features in its IR spectrum: 946, 2380, and -1 3386 cm¹. (a) Sketch the motions of each normal mode and denote any degeneracies. (b) Assign each feature in the IR spectrum to a normal mode of the molecule. (c) Determine the zero-point energy of HCN.The bond length of the transient diatomic molecule CF is 1.291 Å; that of the molecular ion CF+ is 1.173 Å. Explain why the CF bond shortens with the loss of an electron. Refer to the proper MO correlation diagram.