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CHM 374
Spring 2010
HOMEWORK SET 10
Due Wed. April 21
Read
Understanding Physical Chemistry
(
UPC
), Chapter 8, Section 8.5
1. One can imagine that three hydrogen atoms might combine to form various triatomic
molecules or ions (with different geometries and/or different numbers of electrons).
a. Use the experimental bond formation energy of H
2
+
,
U = E
B
~ 210 kJ/mol (as given in
problem 1 of homework set #9) to determine the Huckel
parameter.
b. Expand the cyclic trimer secular determinant given in Eq. 8.27 and verify that the resulting
polynomial is equivalent to that obtained using the roots given in Eq. 8.28.
c. Use the Huckel expressions for energy levels of linear and cyclic triatomics to predict
whether the linear or cyclic forms of H
3
+
should be the most stable, and compare its
predicted bond formation energy with the value of 903 kJ/mol obtained from a very high
level theoretical calculation.
d. The relative energy of H
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 Spring '10
 ChenYang

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