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- Ti3+ has the following electronic energy levels: idegeneracyE(cm1)04016384.32280378.6 Calculate q by summing the three terms, assuming a temperature of 2000K. Are additional terms needed to get a good value for q?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.
- 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 KCalculating 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 = 1A certain molecule can exist in either a nondegenerate singlet state or a triplet state (with degeneracy of 3). The energy of the triplet exceeds that of the singlet by ε. When ?=??(where T is a set value, i.e., ? is a constant), calculate the values of the molecular partition function, molar heat capacity, and molar entropy. Assume the molecules are distinguishable and independent
- For one mole of Br2 (molar mass 159.82 g/mol, vibrational frequency 325 cm-1,rotational constant 0.082 cm-1, nondegenerate ground electronic state) gas at 400 Kand 1 bar, calculate the molecular rotational partition function.A) 1,695B) 3,390C) 4,560D) 5,735E) 6,256 Please type answer note write by hendDioctyl sulfide, (C8H17)2S, and hexadecane, C16H34, have very similar vibrational spectra. Use a correlation table why.