6) For one mole of Cl2 gas (molar mass 70.91 g/mol, vibrational frequency 560 cm¹, molar entropy 223.1 J mol K-¹) at 298 K and 1 bar, calculate the molecular translational partition function the molecular vibrational partition function (a) (b) qT qv
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- A CO2 molecule has four vibrational modes with wavenumbers 1388 cm-1, 2349 cm-1, and 667 cm-1, (the last being a doubly degenerate bending motion). Calculate the total vibrational partition function at (a) 500 K, (b) 1000 K.Evaluate the rotational partition function at 298 K of (a) 1H35Cl. for which the rotational constant is 318 GHz, (b) 12C16O2, for which the rotational constant is 11.70 GHz.The methyl chloride molecule, CH3Cl, has three non-degenerate vibrations with harmonic wavenumbers 3088, 1396 and 751 cm–1 respectively and three doubly-degenerate vibrations with harmonic wavenumbers 3183, 1496 and 1036 cm–1 respectively. Calculate the vibrational partition function for the methyl chloride molecule at 1200 K.
- N2O and CO2 have similar rotational constants (12.6 and 11.7 GHz, respect ively) but strikingly different rotational partition functions. Why?Evaluate the rotational partition function of pyridine, C5H5N, at 25 °C given that ᷉ A = 0.2014 cm−1, ᷉ B = 0.1936 cm−1, ᷉ C = 0.0987 cm−1. Take the symmetry number into account.The H2O molecule is an asymmetric rotor with rotational constants 27.877 cm−1, 14.512 cm−1, and 9.285 cm−1. Calculate the rotational partition function of the molecule at (i) 25 °C, (ii) 100 °C.
- Estimate the rotational partition function of ethene at 25 °C given that ᷉ A = 4.828 cm−1, ᷉ B =1.0012 cm−1, and ᷉ C = 0.8282 cm−1. Take the symmetry number into account.Estimate the vibrational contribution to the molar entropy of the most common isotopomer of bromine, 79Br2, at 1000 K. The vibrational wavenumber for 79Br2 is 325 cm-1. You may assume that at this temperature, the equipartition theorem and the high temperature approximation for the vibrational partition function are both valid.The NOF molecule is an asymmetric rotor with rotational constants 3.1752 cm−1, 0.3951 cm−1, and 0.3505 cm−1. Calculate the rotational partition function of the molecule at (i) 25 °C, (ii) 100 °C.
- Calculate the vibrational partition function of CCl4 at 500 K given the wavenumbers 459 cm−1 (symmetric stretch, non-degenerate), 217 cm−1 (deformation, doubly degenerate), 776 cm−1 (deformation, triply degenerate), 314 cm−1 (deformation, triply degenerate).Calculate the vibrational partition function of CS2 at 500 K given the wavenumbers 658 cm−1 (symmetric stretch), 397 cm−1 (bend; doubly degenerate), 1535 cm−1 (asymmetric stretch).Predict the vibrational contribution to the standard molar entropy of methanoic acid (formic acid, HCOOH) vapour at (i) 298 K, (ii) 500 K. The normal modes occur at wavenumbers 3570, 2943, 1770, 1387, 1229, 1105, 625, 1033, 638 cm−1.