h. Review the energy distribution and partition (only rotational kinetic energy). i. Review the energy distribution and partition function of a harmonic oscillator (only vibrational energy). j. Review the energy distribution and partition function of the electronic transitions in a particle (only electronic energy).

h. Review the energy distribution and partition (only rotational kinetic energy). i. Review the energy distribution and partition function of a harmonic oscillator (only vibrational energy). j. Review the energy distribution and partition function of the electronic transitions in a particle (only electronic energy).

Principles of Modern Chemistry

8th Edition

ISBN:9781305079113

Author:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler

Publisher:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler

Chapter20: Molecular Spectroscopy And Photochemistry

Section: Chapter Questions

Problem 10P

See similar textbooks

Similar questions

Which of the following molecules should have pure rotational spectra? a Dimethyltriacetylene, H3CCCCCCCCH3 b Cyanotetraacetylene, HCCCCCCCCCN Such molecules have been detected in intersteller space. c Nitric oxide, NO d Nitrogen dioxide, NO2 e Sulfur tetrafluoride, SF4 f Sulfur hexafluoride, SF6
Determine the molecular partition function, ?.
Plot the temperature dependence of the vibrational contribution to the molecular partition function for several values of the vibrational wavenumber. Estimate from your plots the temperature at which the partition function falls to within 10 per cent of the value expected at the high-temperature limit.
The boat conformation of cyclohexane (1) lies 22 kJ mol-1 higher in energy than the chair conformation (2). Calculate the partition function for the cyclohexane molecule, confining attention to these two con formations only. Show how the partition function varies with temperature.
note: start with the expression for the mean of a canonical ensemble and use the relationship between the molecular and canonical ensemble partition functions
Calculating Partition Functions. Consider the acetylene molecule, which is linear and has the chemical structure H−C≡C−H. Calculate or determine the following: a. Symmetry number (?) and degrees of freedom b. Moment of inertia (I) and rotational temperature (Θr) c. Vibrational temperatures (Θv,i) d. Translational (qt), rotational (qr), vibrational (qv), and electronic (qe) partition functions at 298 K. e. Total partition function, (q/V). Helpful information: mass of H atom = 1.007947 amu mass of C atom = 12.01078 amu C≡C bond length = 1.203 Å C−H bond length = 1.060 Å vibrational frequencies = 1975, 3370, 3277, 729 (2), 600 (2) cm-1 (numbers in parenthesis indicate the degeneracy of that mode) ground state electronic degeneracy = 1
Calculate the rotational partition function for a non-linear molecule whose σ=5 at 25°C. Given A = 4.828 cm-1 , B = 1.015 cm-1 and C = 0.824 cm-1.
A certain atom has a doubly degenerate ground level, a triply degenerate electronically excited level at 1250 cm-1, and a doubly degenerate level at 1300 cm-1. Calculate the partition function of these electronic states at 2000 K
Which of the following molecules should have pure rotational spectra? a Deuterium, D2 D is 2H b Carbon monoxide, CO c cis1,2Dichloroethylene d trans1,2Dichloroethylene e Chloroform, CHCl3 f Buckminsterfullerene, C60
4. What is the form of the total vibrational partition function for a polyatomic molecule?