Calculate the energies, in Joules, of the v = 0, 1, 2, and 3 vibrational states for HCI (Mosc 2991 cm-1) and 12 (Mosc = 214.5 cm-1). Make a sketch of the energy levels on the same scale
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- 1. [10] Consider an adsorption band in the combined rotational-vibrational spectrum of a linear molecule, where the fundamental vibrational frequency involved in the observed band is 2325 cm-¹ and the rotational constant of the molecule is B=2.4 cm³. Say hypothetically, the specific selection rules for the rotational states are AJ = ±2. At what wave numbers would the first three peaks that occur at both higher and lower wave numbers than fundamental vibrational frequency occur at? What transitions would each peak correspond to?A sample of pure 1 H79Br gas was analysed using IR and NIR absorption spectrometers. A fundamental vibration at 2575.15 cm–1 and an overtone band at 5022.78 cm–1 were measured. (a) Using this data, calculate the equilibrium oscillation frequency (in cm–1) and the anharmonicity constant ( e x ) for pure 1 H79Br.Calculate the energies, in Joules, of the v = 0, 1, 2, and 3 vibrational states for HCI (osc = 2991 cm-1) and 12 (˜osc = 214.5 cm-1). Make a sketch of the energy levels on the same scale
- c) In a horizontal radiationless transition, the extent of overlap of the lu functions (probability distribution) of the initial and final states is the primary factor controlling the rate of internal conversion and intersystem crossing. Molecule (a) and molecule (c) of Figure 2 show the v = 0 vibrational level of the initial electronic state and v 7 vibrational level of the final state. Molecule (b) of Figure 2 shows the v= 0 vibrational level of the initial state and thev =1 vibrational level of the final state. Which one of the molecules (a), (b) or (c)) displays the strongest fluorescence? Explain your answer. (a) (b) (c) Figure 2: Overlap of the lyf functions for a radiationless transition between the initial (i) and finál (f) electronie states.The vibrational levels of 23Na127I lie at the wavenumbers 142.81, 427.31, 710.31, and 991.81 cm−1. Show that they fit the expression (v + 1/2) ᷉v − (v + 1/2) 2xe ᷉v, and deduce the force constant, zero-point energy, and dissociation energy of the molecule.The first five vibrational energy levels of ¹H¹27 I are at 1144.83, 3374.90, 5525.51, 7596.66, and 9588.35 cm¹. Treating the molecule as an anharmonic oscillator, estimate the dissociation energy of the molecule in units of reciprocal centimetres (cm-¹). [Note: m(¹H) = 1.0078 u, m(¹271) = 126.9045 u; assume the second order anharmonicity constant, Ye, to be zero.] [Note: Use graph paper in your answer.]
- The fundamental vibrational wavenumber for 12C160 is 2143 cm-1. For 1 mole of these molecules, calculate the number of CO molecules in the v = 0 and v= 1 levels at the given temperatures. (a) 298 K no 6.0219479766542e n11.93307140358876 (b) 1080 K no 5.73772844591641 n1= 2.70e22 XCalculate the temperature at which qvib 4.0 -.6806 X K 2.5 for nitric oxide. The vibrational wavenumber isỹ = 1876 cm-1.(4) For a rotational-vibrational spectrum of H8'Br (B = 8.46 cm-1) taken at 520 K, determine the R-branch transition that is expected to be the most intense.
- The vibrational transtion from v=0 to v=1 in CO occured at wavenumber= 2143.4 cm-1 calculate the force constant of COIf the populations of two levels of energies E₁ and E, and statistical weights g; and g¡(E¡ < Ej) are found to be n, and nj, respectively, find an expression for the excitation temperature of this transition.Rotational absorption lines from 1H35Cl gas were found at the following wavenumbers (R.L. Hausler and R.A. Oetjen, J. Chem. Phys. 21, 1340 (1953)): 83.32, 104.13, 124.73, 145.37, 165.89, 186.23, 206.60, 226.86 cm−1. Calculate the moment of inertia and the bond length of the molecule. Predict the positions of the corresponding lines in 2H35Cl.