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- Which molecules below are rotational Raman active and which are inactive. O3 CH4 NH3 H2 H2O SiH4 CF6 C4H103. State which of the following molecules have (a) rotational absorption spectra, i.e. are rotationally active, (b) vibrational absorption spectra, i.e. are vibrationally active: N2, HF, CS2, SO2, SO, C6H6.For a non-linear molecule with 5 atoms, how many vibrational modes does it have? 7 6.
- (g) Which of the following compound gives the largest vibrational frequency among H2, D2,HD, and Cl2? A. HD B. D2 C. H2 D. Cl2Calculate the number of possible vibrational modes for each of the following molecules and assign frequency ranges to each. i) NH3 ii) C2H4 iii) CCl2F2 iv) CH3CH2OH b) Which of the above molecules will absorb IR radiations most strongly? Explain your answer.The highest occupied molecular orbital of a molecule isabbreviated as the HOMO. The lowest unoccupied molecularorbital in a molecule is called the LUMO. Experimentally,one can measure the difference in energy betweenthe HOMO and LUMO by taking the electronic absorption(UV-visible) spectrum of the molecule. Peaks in theelectronic absorption spectrum can be labeled as π 2p-π 2p*,σ2s-σ2s*, and so on, corresponding to electrons being promotedfrom one orbital to another. The HOMO-LUMO transitioncorresponds to molecules going from their groundstate to their first excited state. (a) Write out the molecularorbital valence electron configurations for the ground stateand first excited state for N2. (b) Is N2 paramagnetic or diamagneticin its first excited state? (c) The electronic absorptionspectrum of the N2 molecule has the lowest energypeak at 170 nm. To what orbital transition does this correspond?(d) Calculate the energy of the HOMO-LUMO transitionin part (a) in terms of kJ/mol. (e) Is the…
- 2. Explainthefollowing,relatedtophysicalinsighttointernalenergy(i)Translationenergy(ii)rotational kinetic energy (iii) vibrational kinetic energy (iv) Internal energy (v) spin energy (vi) sensible energy (vii) latent energy (viii) chemical energy (ix) nuclear energy (x) thermal energy12. Without performing any calculations, identify which stretching vibration will have the higher frequency in each of the following pairs. Explain. (a) C-O vs. C=O (b) H-Cl vs. H-Br3. Four possible vibrational modes for a trigonal planar BF3 molecule are shown below. (The arrows represent motions within the plane of the paper, and the + and - signs represent motions in and out of that plane.) Mode 1 Mode 2 Mode 1 Mode 3 Determine which of those modes should be IR-active, and then circle your choices below. Mode 2 Mode 4 Mode 3 Mode 4
