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Determining Point Group for a Molecule: Identifying Symmetry Axes and Planes - Prof. Josep, Study notes of Organic Chemistry

A summary of the process for determining the point group of a molecule based on its symmetry axes and planes. It covers different types of point groups, including those with and without a c2 axis perpendicular to the major axis, linear groups, and platonic solids. It also includes a 'plan of attack' for identifying special groups and the presence of various symmetry elements.

Typology: Study notes

Pre 2010

Uploaded on 08/13/2009

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Summary for Determining Point Group for a Molecule
C
n (proper rotation): a rotation axis of symmetry, where
n
is the order of the
rotation axis or “foldedness”.
The number of degrees of the rotation is related to
n
by 360/
n
.
The “major axis” in a molecule is the rotation axis with the highest order (highest
value of n).
Types of Point Groups:
1.
C
n
,
C
n
h
,
C
n
v
-these three do not have a
C
2 axis perpendicular to the major axis.
-in
C
n
h
, the '
h
' indicates a horizontal mirror plane of symmetry present.
-in
C
n
v
, the '
v
' indicates a vertical mirror plane of symmetry present.
-vertical mirror planes include the major axis.
-horizontal mirror planes are perpendicular to the major axis.
-if both types are present, horizontal takes precedent.
2.
D
n,
D
n
h
,
D
n
d
-these three do have a
C
2 axis perpendicular to the major axis.
-in
D
n
h
, the '
h
' indicates a horizontal mirror plane of symmetry present.
-in
D
n
d
, there are vertical mirror planes present, but no horizontal planes.
3. Linear Groups:
a)
Cv
(unsymmetric) (i.e. H–Cl)
b)
Dh
(symmetric) (i.e. O=C=O)
4. Platonic Solids:
a) tetrahedral-
Td
(i.e. CH4)
b) octahedral-
Oh
(i.e. SF6)
c) icosahedral-
Ih
(i.e. C60, B12H122-)
pf2

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Summary for Determining Point Group for a Molecule

C

n

(proper rotation): a rotation axis of symmetry, where n is the order of the

rotation axis or “foldedness”.

The number of degrees of the rotation is related to n by 360/ n.

The “major axis” in a molecule is the rotation axis with the highest order (highest

value of n).

Types of Point Groups:

1. C

n ,

C

n h

, C

n v

-these three do not have a C

2

axis perpendicular to the major axis.

-in C

n h

, the ' h' indicates a horizontal mirror plane of symmetry present.

-in C

n v

, the ' v' indicates a vertical mirror plane of symmetry present.

-vertical mirror planes include the major axis.

-horizontal mirror planes are perpendicular to the major axis.

-if both types are present, horizontal takes precedent.

2. D

n

, D

n h

, D

n d

-these three do have a C

2

axis perpendicular to the major axis.

-in D

n h

, the ' h' indicates a horizontal mirror plane of symmetry present.

-in D

n d

, there are vertical mirror planes present, but no horizontal planes.

  1. Linear Groups:

a) C

∞v

(unsymmetric) (i.e. H–Cl)

b) D

∞h

(symmetric) (i.e. O=C=O)

  1. Platonic Solids:

a) tetrahedral- T

d

(i.e. CH

b) octahedral- O

h

(i.e. SF

6

c) icosahedral- I

h

(i.e. C

60

, B

12

H

12

2-

T

d

I

h

C

∞v

D

∞h

"Plan of Attack"

"special" group?

no

yes

Is C

n

present?

Is mirror plane present?

C

s

Is center of

symmetry ( i) present?

C

1

C

i

yes

yes

yes

yes

no

C

nh

no

no

no

Are there n C

2

axes

perpendicular to C

n

D

nh

Is σ

h

present? Is σ

h

present?

D

n

D

nd

yes

yes

no

no

Is σ

v

present?

no

C

n

C

nv

yes

Is σ

v

present?

yes

no

O

h

S

2 n

or S

2 n

and i only,

colinear with unique

or highest order C

n

S

n

yes no