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Atkins & de Paula: Elements of Physical Chemistry 5e
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The ground configuration of the titanium oxide, TiO, radical gives rise to a 3∏ term, which comprises 3∏2, 3∏1 and 3∏0 levels. The 2∏2 level lies lowest in energy and has a degeneracy of 5, the 2∏1 level lies the equivalent of 67 cm-1 higher in energy and has a degeneracy of 3 and the 2∏0 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.
Calculate the vibrational partition function for the sodium dimer, Na2, molecule at 298 K. The harmonic vibrational wavenumber is 159 cm-1.
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 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.
Predict a value for the standard constant volume heat capacity, CV°, of a closed-shell heteronuclear diatomic molecule at high temperatures.
Calculate the residual molar entropy of a sample of the isotopomer of boron trichloride, B35Cl237Cl.
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.
The vibrational modes of a boron trifluoride molecule, 10BF3, are listed below. Calculate the vibrational partition function at 1000 K.
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 = 3, whilst para-hydrogen is singly degenerate and has a nuclear partition function qS = 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.
