Beruflich Dokumente
Kultur Dokumente
Contents
What and Why?
The symmetry elements and operations
The symmetry classification
Consequences of symmetry
Linear algebra in symmetry
Group representation and character tables
Molecular Symmetry
What is symmetry ?
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Molecular symmetry
Molecular Symmetry
Molecular Symmetry
Molecular Symmetry
Molecular Symmetry
Molecular Symmetry
Symmetry Elements
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Symmetry Operations
Molecular Symmetry
Symmetry Elements
Elements
Symbol Operation
Identity
N-fold proper
axis
Cn
Inversion
center
N-fold
improper axis
Reflexion in plane
Sn
Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
Molecular Symmetry
(a) An NH3 molecule has a threefold (C3) axis and (b) H2O molecule has a
twofold (C2) axis.
Symmetry modeling : http://www.ch.ic.ac.uk/local/symmetry/
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Molecular Symmetry
Successive rotations
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Molecular Symmetry
Molecular Symmetry
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If the plane is perpendicular to the principal
Molecular Symmetry
Molecular Symmetry
Molecular Symmetry
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Molecular Symmetry
Molecular Symmetry
Molecular Symmetry
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Molecular Symmetry
(a) A CH4 molecule has a fourfold improper rotation axis (S4); the
molecule is indistinguishable after a 90 rotation followed by a
reflection across the horizontal plane, (b) The staggered form of
ethane has an S6 axis composed of a 60 rotation followed by a
reflections.
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Molecular Symmetry
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Molecular Symmetry
Molecular Symmetry
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Molecular Symmetry
Group Theory
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Group C1 Ci Cs
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Molecular Symmetry
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Molecular Symmetry
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D : possess D +Used
n dihedral mirror
planes
nd
(12. 13)
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Molecular Symmetry
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Molecular Symmetry
Group S2n
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Molecular Symmetry
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Molecular Symmetry
(b) O
(c) I
(a) Th
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
Exercise 1
D5d
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Molecular Symmetry
Consequences of symmetry
Polarity
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Molecular Symmetry
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Molecular Symmetry
Consequences of symmetry
Chirality
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Molecular Symmetry
Molecular Symmetry
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Molecular Symmetry
Exercise 2
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Molecular Symmetry
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Molecular Symmetry
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The trace of a matrix is defined as the sum of
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Molecular Symmetry
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Molecular Symmetry
C2 operation
sv(xz) operation
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Molecular Symmetry
C2 sv(xz) operation
C2 C2 = E
sv(xz) sv(yz) = C2
sv(yz) sv(yz) = E
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Molecular Symmetry
Characters
The character, defined only for a square matrix, is the trace of the
matrix, or the sum of the numbers on the diagonal from upper left
to lower right. For the C2v point group, we can obtained the
following characters:
Molecular Symmetry
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Molecular Symmetry
Character tables
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Molecular Symmetry
i (E )
i
Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
Transformation matrices
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Molecular Symmetry
Transformation matrices
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
Symmetric
Antisymmetric
asymmetric
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
Degree of freedom
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
IR Spectra of H2O
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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b2
Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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