Allene, C3H4, has point group symmetry D2d, with character table provided below. It can be embedded in a rectangular prism as shown, with Cartesian axes as defined here. D2d E 2S4 C₂ 2C₂' 20d A₁ 1 1 1 1 1 A2 1 1 1 -1 -1 В1 1 -1 1 1 -1 B₂ 1 -1 1 -1 1 E -2 0 0 1Η 2H C C₂^x X Y C₂¹ (a) Consider the four 1s orbitals on the hydrogen atoms of allene (numbered as shown). The symmetry transformations of these functions are shown on the table below with two of the symmetry operations omitted. Find the results for the two missing sets of results (shaded red) and complete the table. = H Пиши н C SA Z Here, |;) |1s;) (the 1s orbital on atom H;). (Note that the two C₂ axes from the character table have been labeled C₂' and C₂", and the od' plane contains the z-axis, H₁ and H₂, while the od" plane contains the z-axis, H3 and H4.) 3 R = Ê| S₁ S₂³ C₂ C₂ C2" ôáôáí R$₁ $1 03 04 93 94 R$₂ $2 ΦΑ $3 ΦΑ $3 R$3 $3 $2$1 R$4 ΦΑ Φ1 $2 20 $2 Φ1 $2 Φ1 $3 Ф4 (b) Find the reducible representation for the symmetry operations applied to the set of four 1s orbitals in allene. (c) Reduce the representation found for the 1s orbitals into its component irreducible representations.

Physical Chemistry
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Chapter13: Introduction To Symmetry In Quantum Mechanics
Section: Chapter Questions
Problem 13.21E
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Allene, C3H4, has point group symmetry D2d, with character table provided below. It can be
embedded in a rectangular prism as shown, with Cartesian axes as defined here.
2d
E
2S4
A₁ 1
1
A2
1
1
B₁
1
-1
B₂
1
−1
E
2
0
1 H
الے
2H
C₂₁
C:
X
C₂"
3
H
Â0₁
$1
R$₂ $2
Â$3
03
Ⓡ$4
ΦΑ
CH
S4
D2d
$3
ФА
(a) Consider the four 1s orbitals on the hydrogen atoms of allene (numbered as shown). The
symmetry transformations of these functions are shown on the table below with two of
the symmetry operations omitted. Find the results for the two missing sets of results
(shaded red) and complete the table.
C₂ 2C₂'
1
1
1
-1
1
1
1
-1
-2
0 0
Here, ₁) = |1s;) (the 1s orbital on atom H;). (Note that the two C₂' axes from the
character table have been labeled C₂ and C₂", and the od plane contains the z-axis, H₁
and H₂, while the od" plane contains the z-axis, H3 and H4.)
ÂR = Ê
SA S4²³ C₂
Ĉ₂' Ĉ₂" ôd' ôa"
ΦΑ
$2
$3
Φ1
2
Φι
$3
Φι $2
ΦΑ
03 04
$4
$3
Φ1
$2
$2
Φ1
20d
1
-1
-1
(b) Find the reducible representation for the symmetry operations applied to the set of four
1s orbitals in allene.
(c) Reduce the representation found for the 1s orbitals into its component irreducible
representations.
Transcribed Image Text:Allene, C3H4, has point group symmetry D2d, with character table provided below. It can be embedded in a rectangular prism as shown, with Cartesian axes as defined here. 2d E 2S4 A₁ 1 1 A2 1 1 B₁ 1 -1 B₂ 1 −1 E 2 0 1 H الے 2H C₂₁ C: X C₂" 3 H Â0₁ $1 R$₂ $2 Â$3 03 Ⓡ$4 ΦΑ CH S4 D2d $3 ФА (a) Consider the four 1s orbitals on the hydrogen atoms of allene (numbered as shown). The symmetry transformations of these functions are shown on the table below with two of the symmetry operations omitted. Find the results for the two missing sets of results (shaded red) and complete the table. C₂ 2C₂' 1 1 1 -1 1 1 1 -1 -2 0 0 Here, ₁) = |1s;) (the 1s orbital on atom H;). (Note that the two C₂' axes from the character table have been labeled C₂ and C₂", and the od plane contains the z-axis, H₁ and H₂, while the od" plane contains the z-axis, H3 and H4.) ÂR = Ê SA S4²³ C₂ Ĉ₂' Ĉ₂" ôd' ôa" ΦΑ $2 $3 Φ1 2 Φι $3 Φι $2 ΦΑ 03 04 $4 $3 Φ1 $2 $2 Φ1 20d 1 -1 -1 (b) Find the reducible representation for the symmetry operations applied to the set of four 1s orbitals in allene. (c) Reduce the representation found for the 1s orbitals into its component irreducible representations.
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