Molecular Geometry (Shape)
This subject is treated in detail in the book of the molecular geometry advertized in this website. Also, a practical kit is associated with the book so the student will get more practical view of the molecular shapes of basic molecules. The predicted molecular shapes by the Valence Electron Pair Repulsion Theory is based on the Lewis structures. On the other hand, molecular shapes could be predicted on the basis of the atomic electronic structure as introduced by the quantum theory in what is known as hybrid orbitals. In the following, the predicted geometries of some molecules and molecular ions given in the book ae presented:
. Ne.p = 2 n 2 m 0 Formula AX2 Molecular Shape Angle 180 X Name Linear
180
X A A Examples: i. Non-polar molecules: CO2, BeCl2, HgCl2 ii. Polar molecules: HCN
Ne.p = 3 Angle n m Formula Molecular shape Name
AX3
X A
Planar 120 triangular
A X X Examples: i. Non-polar molecules: BF3, BCl3, A 120 A ii. Polar molecules: H2CO, BF2Cl
..
A Bent, X A 120 V shape
AX2E
X A
120
Examples: Polar molecules: SO2, O3, ClNO, SnCl2, PF2+
Ne.p = 4
Formu n m la Molecular shape
Angle
Name
4 0
AX4
A
109.5
A 109.5 Tetrahedral
Examples: i. Non-polar molecules: CH4, ii. Polar molecules: CH2Cl2, CHCl3, CH2F2 , CHF3 CH3F,
..
3 1 AX3E A
109.5
..
A 109.5 Pyramidal
Examples: Polar molecules: NH3, AlCl3, PH3,
V-shaped, 2 2 AX2E2
..
A
.. ..
A
109.5
bent
Examples: Polar molecules: H2S, H2O, 109.5
..
..
1 3 AXE3 A
109.5
.. .. .. ..
A
..
Linear
Examples: i. Polar molecules: HCl, HF, HBr, HI [Link] Polar molecules : Cl2, F2, Br2, H2
Ne.p = 5. The Initial geometry is trigonal bipyramidal .In this system, it has been found that atoms X are placed first at the extremity of the axial axis, then in the equatorial positions (plane)
Angles n m Formula Molecular shape Name
Trigonal bipyramidal 5 0 AX5 180 90 120
Examples: i- Non-polar molecules: PCl5, ii- Polar molecules: SOF4, TeOF4
4 1
AX4E
..
Deformed 180 90 120
(unsymmetrical)
tetrahedron
Examples: Polar molecules: SF4, IO2F2-,
3 2
AX3E2
..
A Examples: - Polar molecules: ClF3, IF3
180
90
T-shaped
..
..
2 3 AX2E3 A
..
180
Linear
..
Examples: i. Non-polar molecules: I3-, ICl2-, ii. Polar molecules: IFCl-,
Ne.p = 6. The initial geometry is Octahedral. Note that in this system, it has been found that atoms X are placed first at the extremity of the equatorial axis (plane), then at the axial axis positions
n m Formula
Molecular shape
Angles
Name
6 0
AX6
180
90
90
Octahedral
Examples: i. Non-polar molecules: PCl6-, SF6, ii. Polar molecules: IOF5
..
Square 5 1 AX5E A 90 90 pyramidal
Examples: Polar molecules: BrF5, SbF52-
Square 4 2 AX4E2
..
90
planar
A Examples: i. Non-polar molecules: BrF4-
..
ii. Polar molecules: I F2Cl2-