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Group Theory

Symmetry, derived from the Greek word 'summetria', refers to the equalization effect in objects, contributing to their beauty. It plays a crucial role in various chemical theories and applications, including molecular geometry, spectroscopy, and catalysis. Symmetry elements and operations, such as mirror planes and rotation axes, are fundamental in understanding molecular structures and their behaviors.

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0% found this document useful (0 votes)
4 views

Group Theory

Symmetry, derived from the Greek word 'summetria', refers to the equalization effect in objects, contributing to their beauty. It plays a crucial role in various chemical theories and applications, including molecular geometry, spectroscopy, and catalysis. Symmetry elements and operations, such as mirror planes and rotation axes, are fundamental in understanding molecular structures and their behaviors.

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Janvi
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The word symmetry is derived from Greek word summetria meaning- _ "similar measure". Symmetry is a kind of leveling / equalization effect in any object ie; molecule, picture, substance which attributes beauty to line of "symmetry Unsymmetri cal Get O Molecular symmetry and group theory together can help Simplification of quantum mechanical equations Explaining hybridization theory Chemical reaction theory Finding Wave function Spectroscopy John-Teller Theorem Catalysis theory Theoretical prediction of molecular geometry Dipole moment Optical activity Ligand field theory Many other chemical applications Cet a ae Plane of symmetry (reflecting into a ee 7 two equal | Axis of symmetry halves) | i | (represent by | central dot) presents in ‘Ashoka Chakra’, Berea tn Symmetry in ‘Taj Mahal’ Top View Front Backside View View Symmetry in Polygons Rectangle lsosceles Triangle Regular Hexagon Regular Heptagon 2 lines of symmetr ine of 6 ines of symmet lines of symmetry Square Regular Pentagon Regular Equilateral Triangle BH @ @ A Bines of Symmetry 5 ines ofsymmety 4 lines of symmetry 5 lines of symmetry Symmetry Elements and Operations -Symmetry elements are the geometrical elements such as a line, plane or a point with respect to which one or more symmetric operations are carried out. ‘The Symmetry elements are Mirror planes, Axis of rotation, and Inversion centres etc. Symmetry Elements and Operations rer ‘whole of space’ n-fold axis Mirror plane Center of inversion n-fold axis of improper rotation eee ta cn Identity Rotation by 2x/n Reflection/Bisection Inversion Rotation by 2x/n followed by reflection ina plane perpendicular to the rotation axis Axis of rotation Center of inversion ee) @ in benzne in water ol molecule molecule oc 2 | Mirror plane (6 \ xz) in water > cule S eR m ue) A symmetry operation is a movement such as inversion about a point, rotation about a line or a reflection about a plane in order to get an equivalent orientation. An equivalent orientation is an orientation similar to the original orientation but not the identity. For Example; @ | —1s05_ A —18 al — © NOTE : Symmetry opreation is carried out w.r.t symmetry element. TMC a a aes + Identity (E) + This symmetry element after the opreation does no change or do nothing on the object. + for example; CHECIBr soclBr Note: 1. Identity Operation is needed for mathematical completeness. Get OfficeSuite for Windows PC id Rotation axis (Cn) + The rotation operations occur with respect to a line called an axis of rotation. A proper rotation is performed by rotating the molecule 360°/n about the rotation axis, where n is the order of the axis. + If the resulting configuration is indistinguishable from the original, we say there exists an n-fold proper rotation axis (or Cn axis) in the molecule. : Note: 1. Rotation of the object 360/n degrees about an axis. 2. The symmetry element is a line. 3. Counterclockwise rotation is taken as positive. 4. Principle axis = axis with the largest possible n value. Get OfficeSuite for Windows PC + for example; Rotation Angle Symmetry Operation In H,O molecule, the only rotation of 180° (the C, operation) leaves i apparently unchanged. eC aes i? 180" aw a" 36" ti Ged GEG) y CEG) J ai r A threefold corresponding C; - axis in NHs. There are two rotations associated with this axis, one ‘through 120" (C,)__and one + Plane of symmetry + Aplane of reflection through which an identical copy of the original molecule is given. This is also called a mirror plane and abbreviated “o” (sigma). a Note: o, plane includes the principle axis G), plane perpendicular to principle axis 6, plane includes the principle axis, but not the outer atoms STC tae “Note: o produces an equivalent configuration. *0? = oo produces an identical configuration with the original. *o"=Eforneven; n= 2,4, 6.... -on = o for n odd; n=3, 5, fee ee am Nd Some molecules have no o-planes: N EP {Sci H -Linear molecules have an infinite number of planes containing the bond axis. eee tera tae EE *Some molecules have no o-planes: & a’ So Br oN ES {cl H -Linear molecules have an infinite number of planes containing the bond axis. 9 eee est Cha ry The two vertical mirror planes o, and |e¢ in H,O and the [corresponding “operations. eee a tad 4 plane, bisecting two c, - _—» axis. Principal axis (axis of highest order “*\ gy, plane +perpendicula |r to principle | axis Ree ae + Centre of symmetry or rsion center (i) + It is a point within the molecule from which lines drawn to opposite direction meet similar points at exactly the same distance and direction. : Note: - Symmetry element is a point. - All other atoms except the one that is present on the center should occur in pair. - Ethane has i, methane does not. + Tetrahedra, triangles, pentagons do not have i. + Squares, parallelograms, rectangular solids, SA La CH,CLBr. Benzen centre of inversion 'i'€ ~ e 2 The inversion 2 pperation and the centre of inversion i Diborane Ethylene in SF,.(0,) rele Cee ae Improper rotation is a combination of two operations, proper rotation C, and reflection. An axis around which a rotation, followed by a reflection ina plane perpendicular to it, leaves the molecule unchanged. * It also called an n-fold improper rota'’ abbreviated S,, with n necessarily even. (1) Rotate + Note: * 2S, operations =C,/2( = Cc) “eft Sn E () Rot a a (ay notiecd * S,|=@ An S, axis is equivalent to a mirror | __—> plane () An 8, axis is equivalent toa centre | SL Voisin Get OfficeSuite for Windows PC A fourfold axis of improper rotation S, in the CH, molecule S, in the Allene RCC aT Tae! THOTECUTE S, in the SF, molecu] ‘Staggered ethane Equivalent eee Ra La Las Schénflies notation In Schénflies notation, point groups are denoted by a letter symbol with a subscript. The symbols used in crystallography mean the followin, si __|_____ Corresponding opreatio | Group has the symmetry of an octahedron without improper operations 0, Group has the symmetry of an | Notations (letter) 0 (for octahedron) octahedron with improper operations Group has the symmetry of a tetrahedron.without improper operations T, includes improper operations _| are T,, is T with the addition of an inversion. T @or tetrahedron) I(foricosahedron) _ Group has the symmetry of an icosahedron without (1) improper - Point Groups - Each molecule has a set of symmetry operations that describes the molecule's overall symmetry. This set of operations define the point group of the molecule. + Why is it called a “point group”? + Because all the symmetry elements (points, lines, and planes) will intersect at a single point. eee eam a Cs Is Sfola | rotational | axis NAMING POINT GROUPS ? 4 + The name of the point group has information about the symmetry elements present. + The letter is the rotational group and the subscript number after the letter indicates the order of the principal rotational axis(e.g. 3-fold or 4-fold etc.): c “@’ indicates only one rotational axis Co ‘has o, mirror plane but no o, | ‘Dp’ indicates an n-fold principal rotation axis plus n 2-fold axis at right angle to it nOGh i mirror 4fold | Plane_ |_ Principal ‘h’ indicates a ao o,, mirror plane Highest - Order Rotatipnal Perpendicula C2 Axis? Cra tra

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