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)
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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