Calculate the translational partition function of a nitrogen, N2, molecule in a sample of 0.010 mol of gas held in a vessel at a pressure of 1.00 bar and a temperature of 298 K.
Calculate the rotational partition function for a hydrogen chloride, 1H35Cl, molecule at 298 K. The bond length of hydrogen chloride is 127 pm.
Calculate the vibrational partition function for the sodium dimer, Na2, molecule at 298 K. The harmonic vibrational wavenumber is 159 cm–1.
The vibrational modes of a boron trifluoride molecule, 10BF3, are listed below. Calculate the vibrational partition function at 1000 K.
The ground configuration of the titanium oxide, TiO, radical gives rise to a 3P term, which comprises 3P2, 3P1 and 3P0 levels. The 2P2 level lies lowest in energy and has a degeneracy of 5, the 2P1 level lies the equivalent of 67 cm–1 higher in energy and has a degeneracy of 3 and the 2P0 level lies 141 cm–1 higher in energy than the lowest level and has a degeneracy of 1. Assuming that all other levels lie too high in energy to be significantly populated, calculate the electronic partition function at 298 K.
Predict a value for the standard constant volume heat capacity, CVʅ, of a closed-shell heteronuclear diatomic molecule at high temperature.
Residual entropy arises because of the different configurations that may exist even at 0 K. The entropy of the B35Cl237Cl isotopomer of boron trichloride is non zero even at 0 K because the molecules may be orientated within the crystal in different ways. Use the Boltzmann formula to calculate the residual molar entropy of a sample of B35Cl237Cl at 0 K.
Calculate the contribution that rotational motion makes to the molar entropy of bromine, Br2, gas at a temperature of 298 K. The rotational constant of Br2 is 0.0808 cm–1.
Calculate the standard molar Gibbs energy of sodium vapour, Na, at a temperature of 298 K, relative to that at 0 K.
Hydrogen, H2, may exist in two forms: in ortho-hydrogen, o-H2, the nuclear spins are parallel, whilst in para-hydrogen, p-H2, the spins are antiparallel. Ortho-hydrogen is threefold degenerate, so that the nuclear partition function qS(o-H2) = 3, whilst para-hydrogen is singly degenerate and has a nuclear partition function qS(p-H2) = 1. Only rotational levels with odd values of J are permitted for ortho-hydrogen, whilst only even values of J are permitted for para-hydrogen.
The two forms of hydrogen coexist in equilibrium in the presence of a catalyst such as charcoal. Calculate, by direct summation, the equilibrium constant for the conversion of ortho-hydrogen to para-hydrogen at a temperature of 200 K. The rotational constant of hydrogen is 60.80 cm–1.
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