Calculating 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)

Physical Chemistry
2nd Edition
ISBN:9781133958437
Author:Ball, David W. (david Warren), BAER, Tomas
Publisher:Ball, David W. (david Warren), BAER, Tomas
Chapter18: More Statistical Thermodynamics
Section: Chapter Questions
Problem 18.4E
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Calculating 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 = 1

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ISBN:
9781133958437
Author:
Ball, David W. (david Warren), BAER, Tomas
Publisher:
Wadsworth Cengage Learning,