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- N2O and CO2 have similar rotational constants (12.6 and 11.7 GHz, respect ively) but strikingly different rotational partition functions. Why?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.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.
- Calculate the rotational partition function of SO2 at 298 K from its rotational constants 2.027 36 cm–1, 0.344 17 cm–1, and 0.293 535 cm–1 and use your result to calculate the rotational contribution to the molar entropy of sulfur dioxide at 25 °C.The bond length of O2 is 120.75 pm. Use the high-temperature approximation to calculate the rotational partition function of the molecule at 300 K.A certain atom has a triply degenerate ground level, a non-degenerate electronically excited level at 850 cm–1, and a fivefold degenerate level at 1100 cm−1. Calculate the partition function of these electronic states at 2000 K. What is the relative population of each level at 2000 K?
- 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.A certain atom has a fourfold degenerate ground level, a non-degenerate electronically excited level at 2500 cm−1, and a twofold degenerate level at 3500 cm−1. Calculate the partition function of these electronic states at 1900 K. What is the relative population of each level at 1900 K?What is overall molecular partition function Q, and how it is constructed using the partition functions for each energetic degree of freedom?
- 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 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.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