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Point Groups in Molecular Symmetry

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Point Groups in Molecular Symmetry

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Point Group syllabus : C2v, C3v,C2h, D2h, D3h, D4h, D6h, Td and Oh

Definition : A set of symmetry operations form a point group if all the elements in the set obey

all the four rules of a mathematical Group.

Water molecule: C2V

 Water molecule has Angular shape


 The principal axis of the molecule is C2
 It is a non-linear molecule
 It has two perpendicular planes i.e) σv planes
 It has no horizontal planes
 It has no n no of C2.
 Therefore it does not belong to D class of point group
 Hence, the point group of water molecule is C2V
 The elements of symmetry of C2V point group is {E, C2, σv’, σv’’}
Examples : H2S

C3V point group:


 Ammonia has pyramidal shape
 The principal axis of the molecule is C3.
 It has one more rotational operation namely, C32
 It is a non-linear molecule
 It has three perpendicular planes i.e)3 σv planes
 It has no horizontal planes
 It has no n no of C2.
 It has no centre of symmetry
 Therefore it does not belong to D class of point group.
 Point group of ammonia is C3V.
 Its symmetry elements are {E, C3, C32, σv’, σv’’, σv’’’}
 Other examples are XeO3, Pcl3, CHCl3

C2h Point group:

 Trans N2F2 belongs to this point group.


 It has one principal axis C2.
 It is a non-linear molecule.
 It has one inversion centre i
 It has one horizontal plane σh.
 It has no vertical planes.
 It has no n no of C2.
 Therefore it does not belong to D class of point group.
 Its symmetry elements are {E, C2, i, σh }
 Other examples are H2O2, Trans dichloro ethylene
D2h point group:

CH2=CH2

 It is a planar molecule.
 It has one principal axis C2
 It has two C2 axes orthogonal to the principal axis.
 Hence, it belongs to D class of point group
 It has one inversion centre
 It also has a horizontal mirror plane intersecting the principal axis i.e) σh.
 It also has two vertical mirror planes parallel with the principal axis i.e) 2σv planes
 Its symmetry elements are {E, C2, 2 C2, i, 2σv, σh.}
 Another example is

D3h Point group:

 It has Triangular planar shape


 It is a non-linear molecule.
 It has one principal axis C3
 It also has C32 axis of rotation
 It has three C2 axes orthogonal to the principal axis.
 Hence, it belongs to D class of point group
 It has three vertical planes i.e) 3σv planes
 It also has a horizontal mirror plane intersecting the principal axis i.e) σh
 Its symmetry elements are {E, C3, C32, 3 C2, 3σv, σh,, 2S3 }
 Other examples are, Pcl5, eclipsed ethane

D4h point group:

 Ptcl4 2- has square planar geomentry.


 It is a non-linear molecule
 It has one principal axis C4 and C42
 It also has one perpendicular C2 axis
 It has four C2 axes orthogonal to the principal axis.
 Hence, it belongs to D class of point group
 Similiarly, it has2 vertical planes and two dihedral planes i.e) 2σv planes and 2σd
planes.
 It has one inversion centre
 It also has two S4 axis.
 It also has a horizontal mirror plane intersecting the principal axis i.e) σh
 Its symmetry elements are {E, C4, C42, C2, 4 C2, 2σv, 2σd, i ,σh,, 2S4 }
 Other examples are XeF4,
D6h point group:

 Benzene
 It is a non-linear molecule.
 It has one principal axis C6
 It has six C2 axes orthogonal to the principal axis.
 Hence, it belongs to D class of point group
 Similiarly, it has three vertical planes and three dihedral planes i.e) 3σv planes and 3σd
planes.
 It has one inversion centre
 It also has a horizontal mirror plane intersecting the principal axis i.e) σh
 In addition, it also has 2S3 and 2S6 improper axis of rotation.
 Its symmetry elements are {E,2C6, C2, 6 C2, 3σv, 3σd, i ,σh,, 2S3, 2S6 }
 Other examples are coronene, kekulene,[18]- Annulene, superphane

Cubical point group;

Td point group :

 It is a non-linear molecule.
 The principal axis of Td point group is C3.
 It has three C2 axes.
 It also has six dihedral planes.
 It has no inversion centre
 It has no horizontal mirror plane intersecting the principal axis i.e) σh
 It has no C5 axis of symmetry
 Its symmetry elements are {E, 8C3, 3C2, 6 σd, 6S4}
 Other examples are CH4, Urotropine, fullerene-28, adamantine

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