a) in D4h
First, label axes and location of symmetry elements:
| D4h |
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| a1g |
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| a2g |
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| b1g |
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| b2g |
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| a1u |
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| a2u |
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| b1u |
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| b2u |
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| eu |
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| Red.
Rep. |
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The reducible representation exactly matches the b2g irreducible
representation, so no further work is required.
(b1g is also possible, depending upon how the x and y axes
are located.) Also notice that the object looks just like
a d orbital, in particular the dxy orbital, which transforms
as b2g!
b) in D6h
First, label axes and location of symmetry elements:
| D6h |
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| a1g |
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| a2g |
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| b1g |
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| b2g |
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| e1g |
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| e2g |
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| a1u |
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| a2u |
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| b1u |
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| b2u |
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| e1u |
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| e2u |
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| Red.
Rep. |
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The reducible representation exactly matches the e1u irreducible
representation, so no further work is required.
(The characters for C6 and C3 are found as cos60o
and cos120o, respectively.) In this case the two objects
look
a lot like modestly distorted p orbitals, in particular px
and py, which transform as a pair in the e1u representation.
c) All of the Cartesian coordinates for all of the atoms in NH3.
The structure of ammonia is pyramidal, which belongs to the C3v point group. Labeling the axes (use a similar labeling scheme for all atoms) gives:
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h = 6
n(a1) = (1/6)[(1)(1)(12) + (2)(1)(0) + (3)(1)(2)] = 3
n(a2) = (1/6)[(1)(1)(12) + (2)(1)(0) + (3)(–1)(2)] = 1
n(e) = (1/6)[(1)(2)(12) + (2)(–1)(0) + (3)(0)(2)] = 4
3a1 + a2 + 4e (this checks with the total dimensionality: 3 + 1 + 4(2) = 12)