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Fundamentals Of Group Theory
Ms.Famy Francis
Assistant Professor
Department of Chemistry
St. Mary's College, Thrissur
•It is extremely important aspect in the study of chemical bonding,
spectroscopy etc.
•Group Theory is the systematic discussion of symmetry incorporating
mathematical principles
•An object is said to possess Symmetry if it can take up two or more
spatial orientations that are indistinguishable from each other i.e, if it can
take up two or more equivalent orientations.
Introduction
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
Symmetry operation and symmetry element
• A symmetry operation is an action which when performed on a
molecule yields a new orientation of it that is indistinguishable from
the original though not necessarily identical with it
• A symmetry element is a geometrical entity such as a line ,a plane or
a point with respect to which a symmetry operation may be
performed.
• The existence of a symmetry element is dependent on the existence
of a symmetry operation and vice versa.
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
Elements of symmetry and the
associated symmetry operations
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
 identity operation is one that leaves the system unchanged

 The symmetry element associated with the identity operation is called
the identity element and is given the symbol E
 The identity operation is trivial and all molecules possess the identity
element , the concept is very important while considering sequential
symmetry operations and mathematically very useful in the
application of group theory
Identity operation- identity element
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
Proper rotation operation- proper rotation axis
• A proper rotation axis or an axis of symmetry is a line about which
rotation through a certain angle brings an object into an orientation
that is indistinguishable and superimposable on the original.
• The axis of symmetry is a symmetry element –Cn
• The highest fold proper rotation axis is considered as the principal
axis
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
The reflection operation- plane of symmetry or mirror
plane
 If reflection of all the atoms of molecule through a plane bisecting
the molecule gives a configuration equivalent to the original one, the
molecule is said to have a plane of symmetry - σ
 A symmetry plane that contains the principal axis of the molecule is
called a vertical plane of symmetry –σv
 A symmetry plane perpendicular to the direction of the principal
axis of the molecule is called horizontal plane of symmetry-σh
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
 A symmetry plane that contains the principal axis and at the same
time bisects the angle between two similar C2 axes adjacent to it
in the molecule is called a dihedral plane of symmetry –σd
 The water molecule has two symmetry planes perpendicular
to each other . Both contain the C2 axis and are thus vertical
symmetry planes , represented as σv and σv’
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
 If a straight line from any atom in a molecule projected through
the Centre of the molecule encounters an equivalent atom
equidistant from the Centre, the central point is called a Centre of
symmetry or Centre of inversion - i
The inversion operation- Centre of symmetry
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
Improper rotation operation – improper rotation axis
 If rotation of a molecule about an axis through a certain angle
followed by reflection in a plane perpendicular to the axis yields an
equivalent configuration the axis is called an improper rotation axis
or roto-reflection axis- Sn
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
Introduction to group theory
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
Mathematical groups and point group
 A group is a collection of mathematical objects known as elements
or members which are related to each other according to certain
rules called closure rule, identity rule, associative rule and inverse
rule
 A point group is set of all the symmetry operation, the action which
leaves at least one point of the molecule unmoved or invariant.
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
A systematic procedure for the
identification of point groups
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
 Finite groups- there will be limited number of elements. eg:C2v, C3v
,C2hetc
 Infinite group- there will be an unlimited number of elements.
Eg: C∞v, D∞h
 Abelian group – a group in which all elements commute with
each other .eg:C2v
 Non abelian group –a group for which multiplication is not
commutative for some pairs of its elements. Eg: C3v
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
Examples
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
Reference
 Principles of physical chemistry-puri sharma pathania
 Chemical application of group theory-F.A. Cotton-third edition
Introduction to group theory,Famy Francis, St.Mary’s College Thrissur

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Chemistry-Fundamentals of group theory

  • 1. Fundamentals Of Group Theory Ms.Famy Francis Assistant Professor Department of Chemistry St. Mary's College, Thrissur
  • 2. •It is extremely important aspect in the study of chemical bonding, spectroscopy etc. •Group Theory is the systematic discussion of symmetry incorporating mathematical principles •An object is said to possess Symmetry if it can take up two or more spatial orientations that are indistinguishable from each other i.e, if it can take up two or more equivalent orientations. Introduction Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 3. Symmetry operation and symmetry element • A symmetry operation is an action which when performed on a molecule yields a new orientation of it that is indistinguishable from the original though not necessarily identical with it • A symmetry element is a geometrical entity such as a line ,a plane or a point with respect to which a symmetry operation may be performed. • The existence of a symmetry element is dependent on the existence of a symmetry operation and vice versa. Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 4. Elements of symmetry and the associated symmetry operations Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 5.  identity operation is one that leaves the system unchanged   The symmetry element associated with the identity operation is called the identity element and is given the symbol E  The identity operation is trivial and all molecules possess the identity element , the concept is very important while considering sequential symmetry operations and mathematically very useful in the application of group theory Identity operation- identity element Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 6. Proper rotation operation- proper rotation axis • A proper rotation axis or an axis of symmetry is a line about which rotation through a certain angle brings an object into an orientation that is indistinguishable and superimposable on the original. • The axis of symmetry is a symmetry element –Cn • The highest fold proper rotation axis is considered as the principal axis Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 7. The reflection operation- plane of symmetry or mirror plane  If reflection of all the atoms of molecule through a plane bisecting the molecule gives a configuration equivalent to the original one, the molecule is said to have a plane of symmetry - σ  A symmetry plane that contains the principal axis of the molecule is called a vertical plane of symmetry –σv  A symmetry plane perpendicular to the direction of the principal axis of the molecule is called horizontal plane of symmetry-σh Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 8.  A symmetry plane that contains the principal axis and at the same time bisects the angle between two similar C2 axes adjacent to it in the molecule is called a dihedral plane of symmetry –σd  The water molecule has two symmetry planes perpendicular to each other . Both contain the C2 axis and are thus vertical symmetry planes , represented as σv and σv’ Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 9.  If a straight line from any atom in a molecule projected through the Centre of the molecule encounters an equivalent atom equidistant from the Centre, the central point is called a Centre of symmetry or Centre of inversion - i The inversion operation- Centre of symmetry Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 10. Improper rotation operation – improper rotation axis  If rotation of a molecule about an axis through a certain angle followed by reflection in a plane perpendicular to the axis yields an equivalent configuration the axis is called an improper rotation axis or roto-reflection axis- Sn Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 11. Introduction to group theory Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 12. Mathematical groups and point group  A group is a collection of mathematical objects known as elements or members which are related to each other according to certain rules called closure rule, identity rule, associative rule and inverse rule  A point group is set of all the symmetry operation, the action which leaves at least one point of the molecule unmoved or invariant. Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 13. A systematic procedure for the identification of point groups Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 14. Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 15.  Finite groups- there will be limited number of elements. eg:C2v, C3v ,C2hetc  Infinite group- there will be an unlimited number of elements. Eg: C∞v, D∞h  Abelian group – a group in which all elements commute with each other .eg:C2v  Non abelian group –a group for which multiplication is not commutative for some pairs of its elements. Eg: C3v Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 16. Examples Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 17. Introduction to group theory,Famy Francis, St.Mary’s College Thrissur
  • 18. Reference  Principles of physical chemistry-puri sharma pathania  Chemical application of group theory-F.A. Cotton-third edition Introduction to group theory,Famy Francis, St.Mary’s College Thrissur