8. The vibrational constant o for O2 molecule is 1580 cm. Calculate the maximum displacement (r - re) in Å as a percentage of r.(=1-207 Ả), when v = 0, v = 15. Assume that the molecule is a harmonic oscillator and r, is the eauilibrium internuclear distance.
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- the vibrational frequency of I2 is 214.5 cm-1. (i) Using the harmonic oscillator model, evaluate the vibrational partition function and the mean vibrational energy of I2 at 1000K. (ii) What is the characteristic vibrational temperature of I2? (iii) At 1000K, assuming high-temperature approximation, evaluate the vibrational partition function and the mean vibrational energy of I2. (iv) Comparing (i) and (iii), is the high-temperature approximation good for I2 at 1000K?The vibrational motion of H2 can be described as a harmonic oscillator with v = 4401.21 cm^-1. Calculate the fraction of molecules that have an energy equal to (3hv/2) at 1000 K Select one: 0.998 0.985 0.0018 0.0250The characteristic vibrational temperature for chlorine (Cl₂) gas is 805 K. Calculate the fraction of chlorine molecules in the first excited vibrational state (v-1) when the temperature is 1610 K.
- p9C.1 Familiarity with the magnitudes of overlap integrals is useful when con- sidering bonding abilities of atoms, and hydrogenic orbitals give an indication of their values. (a) The overlap integral between two hydrogenic 2s orbitals is 1 ( ZR ZR +. 2а, " 12 а, 1 + ZR 240 a, -ZR/Z0 S(2s, 2s)={1+ Plot this expression. (b) For what internuclear distance is S(2s,2s) = 0.50? (c) The side-by-side overlap of two 2p orbitals of atoms of atomic number Z is ZR 1 ( ZR ZR S(2p,2p) ={1+ 10 a, 2a, 120 a. Plot this expression. (d) Evaluate S(2s,2p) at the internuclear distance you calculated in part (b).The angular frequency of vibrations in a one-dimensional monatomic crystal are given by where w (k) = 4K m sin k = ka 2 2π λ is the wavenumber of the vibration pattern in terms of its wavelength >, the spring constant between neighbouring atoms, and m the mass of each atom. (i) Show that the frequency does not change if one shifts 2π k→ k +. a (ii) Briefly explain the physical reason for this periodicity.7 The fundamental vibrational wavenumber ( ṽ) for 1H 127I molecule is 23096 cm-1 A. Determine the force constant (k) of 1H 127I B. Calculate the value of for 2H 127I. Show all calculations and the units. Explain the reasoning