Problem 4. Calculate the vibrational partition function of CS, at 500 K given the wavelength 558...
Write down an expression for calculating the vibrational partition function for a polyatomic molecule from the vibrational partition functions of its normal modes. Use the spectroscopic data below to calculate qvib for carbon dioxide and ozone at 300 K. 4 Molecule Carbon dioxide, CO2 13 Ozone, O3 Vi/cm v2/ cm-1 667 701 V3 / cm-1 2349 1042 1103
Write down an expression for calculating the vibrational partition function for a polyatomic molecule from the vibrational partition functions of its normal...
Vibration energy levels are evenly spaced. Calculate the vibrational partition function at 500.0 K for a diatomic molecule whose εvibrational is 1.19e-20 J. What fraction of the molecules would have vibrational energy 1ε=1.19e-20 J?
(a) For the hypothetical system listed below, calculate the partition function at 500 K. (b) What is the average energy as 0? Level Degeneracy Energy (cm-2) 5000
The HF/6-31G(d) harmonic vibrational frequency of Cl2 is 600 cm1. Calculate its vibrational partition function based on the harmonic oscillator approximation at 298 K. Report your calculated value to 2 decimal places. Answer:
5) Calculate the total molecular partition function for 2 moles of Oz gas at 292.5 K and 24 atm. You can assume ideal behavior (V=nRT/P). For O2 the rotational constant is B = 1.45 cm and the vibrational frequency is 1580 cm. The ground state electronic level has a degeneracy of 3.
3. The HCN molecule is a linear molecule, and the following constants are determined spectroscopically: moment of inertia, I = 18.816 x 10-47kg.m2, and three vibrational frequencies, 7 = 2096.7 cm ' (HC-N stretch), üz = 713.46 cm (H-C-N bend, two- fold degeneracy), Dz = 3311.47 cm-' (H-CN stretch). (a) Calculate Orot and Ovit. (b) Calculate the molecular partition function of HCN at 300K and 1 atm. The degeneracy of electronic ground state is 1. (c) Compute the constant volume...
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4.) Calculate the rotational partition function for Hy at 1000 K, where B=60.589 cm 1
3. (8 pts) Calculate the thermal wavelength and translational contribution to the molecular partition function for chlorine gas at 333 K in a volume of 0.693 m'.
Problem 4: (Numerical Integration) Given: u(x)-f (x)+K(x.t) u(t) dr Where a and b and the function f and K are given. To approximate the function u on the interval [a, b]. a partition j a < xi < < x-1 < x-= b is selected and the equation: u(x)- f(xK(x,t) u(t) dt. for eaci 0-.m Are solved for u(xo).ux)u(). The integrals are approximated using quadrature formulas based on the nodes tgIn this problem, a-0, b1, f (x)-, and In this...
Calculate the standard molar entropy of CHCl3 at 300, 400, 500, 600, 700, and 800 K. The rotational constants and vibrational constants are given in the table below. CHCl3 (from NIST Data Tables) Vibrational Data Rotational Data Electronic Symmetry Freq(cm-1) degeneracy Rotational Constants (cm-1) gel = 1 A1 3034 1 0.11015 Sym. No. A1 680 1 0.11015 σ = 3 A1 366 1 0.05932 E 1220 2 E 774 2 E 260 2 Compare your result at 300 K with delta...