contents prior knowledge electron pair repulsion theory the regular molecular shapes shapes of...
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CONTENTS• Prior knowledge
• Electron pair repulsion theory
• The regular molecular shapes
• Shapes of molecules with lone pairs
• Shapes of ions
• Molecules with double bonds
• Structures of compounds with multiple bonds
• Other examples
• Diamond,Graphite, Bukministerfullerene , Nanotubes
SHAPES OF MOLECULESSHAPES OF MOLECULES
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Before you start it would be helpful to…
• know the definition of a covalent bond
• know what a lone pair is
• know that like charges repel
SHAPES OF MOLECULESSHAPES OF MOLECULES
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An electron pair in a covalent molecule will repel .Inorder to minimize repulsion , the central atoms have to placethe bonds far apart as possible
IntroductionIntroduction
VSEPR theory
So:The shape of a molecule or ion depends on number of electron pairs around the central atom electron pairs repel one another so they stay as far apart as possible
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ELECTRON PAIR REPULSION THEORYELECTRON PAIR REPULSION THEORY
“THE SHAPE ADOPTED BY A SIMPLE MOLECULE OR ION IS THAT WHICH KEEPS REPULSIVE FORCES TO A MINIMUM”
Molecules contain covalent bonds. As covalent bonds consist of a pair of electrons, each bond will repel other bonds. Al
Bonds are further apart so repulsive forces are less
Bonds are closer together so repulsive forces are greater
Al
All bonds are equally spaced out as far apart as possible
Bonds will therefore push each other as far apart as possible to reduce the repulsive forces.
Because the repulsions are equal, the bonds will also be equally spaced
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ELECTRON PAIR REPULSION THEORYELECTRON PAIR REPULSION THEORY
“THE SHAPE ADOPTED BY A SIMPLE MOLECULE OR ION IS THAT WHICH KEEPS REPULSIVE FORCES TO A MINIMUM”
MOLECULES WITHOUT LONE PAIRS MOLECULES WITH LONE PAIRS
Because of the equal repulsive forces between bond pairs, most simple molecules, (ones with a central atom and others bonded to it), have standard shapes with equal bond angles.
However, the presence of lone pairs on the central atom affects the angle between the bonds and thus affects the shape.
O
All bonds are equally spaced out as far apart as possible to give minimum repulsive forces
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REGULAR SHAPESREGULAR SHAPES
Molecules, or ions, possessing ONLY BOND PAIRS of electrons fit into a set of standard shapes. All the bond pair-bond pair repulsions are equal.
All you need to do is to count up the number of bond pairs and chose one of the following examples...
C
2 LINEAR 180º BeCl2
3 TRIGONAL PLANAR 120º AlCl3
4 TETRAHEDRAL 109.5º CH4
5 TRIGONAL BIPYRAMIDAL 90º & 120º PCl5
6 OCTAHEDRAL 90º SF6
BOND BONDPAIRS SHAPE ANGLE(S) EXAMPLE
A covalent bond will repel another covalent bond
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BERYLLIUM CHLORIDEBERYLLIUM CHLORIDE
ClBe Be ClCl
Beryllium - has two electrons to pair up
Chlorine - needs 1 electron for ‘octet’
Two covalent bonds are formed
Beryllium still has an incomplete shell
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BERYLLIUM CHLORIDEBERYLLIUM CHLORIDE
Cl ClBe180°
BOND PAIRS 2
LONE PAIRS 0
BOND ANGLE...
SHAPE...
180°
LINEAR
ClBe Be ClCl
Beryllium - has two electrons to pair up
Chlorine - needs 1 electron for ‘octet’
Two covalent bonds are formed
Beryllium still has an incomplete shell
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ADDING ANOTHER ATOM - ANIMATIONADDING ANOTHER ATOM - ANIMATION
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Al
ALUMINIUM CHLORIDEALUMINIUM CHLORIDE
ClAl
Cl
Cl
Cl
Aluminium - has three electrons to pair up
Chlorine - needs 1 electron to complete ‘octet’
Three covalent bonds are formed; aluminium still has an incomplete outer shell.
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Al
ALUMINIUM CHLORIDEALUMINIUM CHLORIDE
Cl
Cl
Al120°
Cl
ClAl
Cl
Cl
Cl
BOND PAIRS 3
LONE PAIRS 0
BOND ANGLE...
SHAPE...
120°
TRIGONAL PLANAR
Aluminium - has three electrons to pair up
Chlorine - needs 1 electron to complete ‘octet’
Three covalent bonds are formed; aluminium still has an incomplete outer shell.
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Al
ALUMINIUM CHLORIDEALUMINIUM CHLORIDE
Cl
Cl
Al120°
Cl
ClAl
Cl
Cl
Cl
BOND PAIRS 3
LONE PAIRS 0
BOND ANGLE...
SHAPE...
120°
TRIGONAL PLANAR
Aluminium - has three electrons to pair up
Chlorine - needs 1 electron to complete ‘octet’
Three covalent bonds are formed; aluminium still has an incomplete outer shell.
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ADDING ANOTHER ATOM - ANIMATIONADDING ANOTHER ATOM - ANIMATION
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METHANEMETHANE
C H CH
H
H
H
Carbon - has four electrons to pair up
Hydrogen - 1 electron to complete shell
Four covalent bonds are formed
C and H now have complete shells
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METHANEMETHANE
BOND PAIRS 4
LONE PAIRS 0
BOND ANGLE...
SHAPE...
109.5°
TETRAHEDRAL
C H CH
H
H
H
109.5°
H H
C
H
H
Carbon - has four electrons to pair up
Hydrogen - 1 electron to complete shell
Four covalent bonds are formed
C and H now have complete shells
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METHANEMETHANE
BOND PAIRS 4
LONE PAIRS 0
BOND ANGLE...
SHAPE...
109.5°
TETRAHEDRAL
C H CH
H
H
H
Carbon - has four electrons to pair up
Hydrogen - 1 electron to complete shell
Four covalent bonds are formed
C and H now have complete shells
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PHOSPHORUS(V) FLUORIDEPHOSPHORUS(V) FLUORIDE
FP
P
F
F
F
F
F
Phosphorus - has five electrons to pair up
Fluorine - needs one electron to complete ‘octet’
Five covalent bonds are formed; phosphorus can make use of d orbitals to expand its ‘octet’
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PHOSPHORUS(V) FLUORIDEPHOSPHORUS(V) FLUORIDE
FP
P
F
F
F
F
F
BOND PAIRS 5
LONE PAIRS 0
BOND ANGLE...
SHAPE...
120° & 90°
TRIGONAL BIPYRAMIDAL
120°F
F
P
F
FF
90°
Phosphorus - has five electrons to pair up
Fluorine - needs one electron to complete ‘octet’
Five covalent bonds are formed; phosphorus can make use of d orbitals to expand its ‘octet’
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SULPHUR(VI) FLUORIDESULPHUR(VI) FLUORIDE
FS
S
F
F
F
F
F
F
Sulphur - has six electrons to pair up
Fluorine - needs one electron to complete ‘octet’
Six covalent bonds are formed; sulphur can make use of d orbitals to expand its ‘octet’
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SULPHUR(VI) FLUORIDESULPHUR(VI) FLUORIDE
FS
BOND PAIRS 6
LONE PAIRS 0
BOND ANGLE...
SHAPE...
90°
OCTAHEDRAL
S
F
F
F
F
F
F
Sulphur - has six electrons to pair up
Fluorine - needs one electron to complete ‘octet’
Six covalent bonds are formed; sulphur can make use of d orbitals to expand its ‘octet’
F
F F
FS
F
F
90°
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SULPHUR(VI) FLUORIDESULPHUR(VI) FLUORIDE
FS
BOND PAIRS 6
LONE PAIRS 0
BOND ANGLE...
SHAPE...
90°
OCTAHEDRAL
S
F
F
F
F
F
F
Sulphur - has six electrons to pair up
Fluorine - needs one electron to complete ‘octet’
Six covalent bonds are formed; sulphur can make use of d orbitals to expand its ‘octet’
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IRREGULAR SHAPESIRREGULAR SHAPES
If a molecule, or ion, has lone pairs on the central atom, the shapes are slightly distorted away from the regular shapes. This is because of the extra repulsion caused by the lone pairs.
BOND PAIR - BOND PAIR < LONE PAIR - BOND PAIR < LONE PAIR - LONE PAIR
OO O
As a result of the extra repulsion, bond angles tend to be slightly less as the bonds are squeezed together.
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AMMONIAAMMONIA
HN NH H
HBOND PAIRS 3
LONE PAIRS 1
TOTAL PAIRS 4
• Nitrogen has five electrons in its outer shell
• It cannot pair up all five - it is restricted to eight electrons in its outer shell
• It pairs up only three of its five electrons
• 3 covalent bonds are formed and a pair of non-bonded electrons is left
• As the total number of electron pairs is 4, the shape is BASED on a tetrahedron
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AMMONIAAMMONIA
ANGLE... 107°
SHAPE... PYRAMIDAL
HN NH H
HBOND PAIRS 3
LONE PAIRS 1
TOTAL PAIRS 4
H
H
N
H
H
H
N
H
107°H
H
N
H
• The shape is based on a tetrahedron but not all the repulsions are the same
• LP-BP REPULSIONS > BP-BP REPULSIONS
• The N-H bonds are pushed closer together
• Lone pairs are not included in the shape
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AMMONIAAMMONIA
HN NH H
HBOND PAIRS 3
LONE PAIRS 1
TOTAL PAIRS 4
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WATERWATER
H OH
HBOND PAIRS 2
LONE PAIRS 2
TOTAL PAIRS 4
O
• Oxygen has six electrons in its outer shell
• It cannot pair up all six - it is restricted to eight electrons in its outer shell
• It pairs up only two of its six electrons
• 2 covalent bonds are formed and 2 pairs of non-bonded electrons are left
• As the total number of electron pairs is 4, the shape is BASED on a tetrahedron
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ANGLE... 104.5°
SHAPE... BENT (V SHAPE)
H
O
H
H OH
HBOND PAIRS 2
LONE PAIRS 2
TOTAL PAIRS 4
O
H
O
H
104.5°H
O
H
• The shape is based on a tetrahedron but not all the repulsions are the same
• LP-LP REPULSIONS > LP-BP REPULSIONS > BP-BP REPULSIONS
• The O-H bonds are pushed even closer together
• Lone pairs are not included in the shape
WATERWATER
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XENON TETRAFLUORIDEXENON TETRAFLUORIDE
FXe Xe
F
F
F
F
• Xenon has eight electrons in its outer shell
• It pairs up four of its eight electrons
• 4 covalent bonds are formed and 2 pairs of non-bonded electrons are left
• As the total number of electron pairs is 6, the shape is BASED on an octahedron
BOND PAIRS 4
LONE PAIRS 2
TOTAL PAIRS 6
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XENON TETRAFLUORIDEXENON TETRAFLUORIDE
FXe Xe
F
F
F
F
F
F F
FXe
F
F F
FXe
ANGLE... 90°
SHAPE... SQUARE PLANAR
• As the total number of electron pairs is 6, the shape is BASED on an octahedron
• There are two possible spatial arrangements for the lone pairs
• The preferred shape has the two lone pairs opposite each other
BOND PAIRS 4
LONE PAIRS 2
TOTAL PAIRS 6
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CALCULATING THE SHAPE OF IONSCALCULATING THE SHAPE OF IONS
The shape of a complex ion is calculated in the same way a molecule by...
• calculating the number of electrons in the outer shell of the central species *
• pairing up electrons, making sure the outer shell maximum is not exceeded
• calculating the number of bond pairs and lone pairs
• using ELECTRON PAIR REPULSION THEORY to calculate shape and bond angle(s)
* the number of electrons in the outer shell depends on the charge on the ion
* if the ion is positive you remove as many electrons as there are positive charges
* if the ion is negative you add as many electrons as there are negative charges
e..g. for PF6- add one electron to the outer shell of P
for PCl4+ remove one electron from the outer shell of P
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SHAPES OF IONSSHAPES OF IONS
BOND PAIRS 3 PYRAMIDAL
LONE PAIRS 1 H-N-H 107°
BOND PAIRS 4 TETRAHEDRAL
LONE PAIRS 0 H-N-H 109.5°
N
H
H
H
H
H
H
H N
BOND PAIRS 2 BENT LINEAR
LONE PAIRS 2 H-N-H 104.5°
H
H N
NH4+
NH2-
NH3
REVIEWREVIEWREVIEWREVIEW
+
-
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MOLECULES WITH DOUBLE BONDSMOLECULES WITH DOUBLE BONDS
C O C OO
Carbon - needs four electrons to complete its shell
Oxygen - needs two electron to complete its shell
The atoms share two electrons
each to form two double bonds
The shape of a compound with a double bond is calculated in the same way. A double bond repels other bonds as if it was single e.g. carbon dioxide
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MOLECULES WITH DOUBLE BONDSMOLECULES WITH DOUBLE BONDS
C O C OO
Carbon - needs four electrons to complete its shell
Oxygen - needs two electron to complete its shell
The atoms share two electrons
each to form two double bonds
DOUBLE BOND PAIRS 2
LONE PAIRS 0
BOND ANGLE...
SHAPE...
180°
LINEAR
O OC180°
Double bonds behave exactly as single bonds for repulsion purposes so the shape will be the same as a molecule with two single bonds and no lone pairs.
The shape of a compound with a double bond is calculated in the same way. A double bond repels other bonds as if it was single e.g. carbon dioxide
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OTHER EXAMPLESOTHER EXAMPLES
BrF5 BOND PAIRS 5
LONE PAIRS 1
‘UMBRELLA’
ANGLES 90° <90°
F
F F
FBr
F
FF F
F Br
F
BrF3 BOND PAIRS 3
LONE PAIRS 2
’T’ SHAPED
ANGLE <90°
F
F
Br
F
F
F
Br
F
SO42-
O
S
O-
O-
O
O S
O-
O-
OBOND PAIRS 4
LONE PAIRS 0
TETRAHEDRAL
ANGLE 109.5°
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109.5
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7 electron pair
Example : Iodine heptafluoride (IF7)
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4 pairs:
3 bond pairs + 1 Lone pairmolecular shape is pyramidal, e.g. NH3,Angle 107
2 bond pairs + 2 lone pairs:Molecular shape is Bent linear example: H2OAngle 104.5
6 pairs:
5 bondpairs + 1 lone pairsMolecular shape is square-base pyramid.
4 bond pairs + 2 lone pairs:Molecular shape is square planar. Example: XeF4
Angle 90
Molecules with lone pair summary
H2O
NH3
XeF4
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ANSWERS ON NEXT PAGE
TEST QUESTIONSTEST QUESTIONS
For each of the following ions/molecules, state the number of bond pairsstate the number of lone pairsstate the bond angle(s)state, or draw, the shape
SiCl4
PCl6-
H2S
SiCl62-
PCl4+
BF3
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TEST QUESTIONSTEST QUESTIONS
3 bp 0 lp 120º trigonal planar boron pairs up all 3 electrons inits outer shell
4 bp 0 lp 109.5º tetrahedral silicon pairs up all 4 electrons in
its outer shell 4 bp 0 lp 109.5º tetrahedral as ion is +, remove an electron
in the outer shell then pair up 6 bp 0 lp 90º octahedral as the ion is - , add one electron to
the 5 in the outer shell then pair up 6 bp 0 lp 90º octahedral as the ion is 2-, add two electrons
to the outer shell then pair up 2 bp 2 lp 92º bent leniar/ V shape sulphur pairs up 2 of its 6
electrons in its outer shell - 2 lone pairs are left
BF3
SiCl4
PCl6-
H2S
SiCl62-
PCl4+
ANSWERANSWER
For each of the following ions/molecules, state the number of bond pairsstate the number of lone pairsstate the bond angle(s)state, or draw, the shape
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Alkanes Tetrahedral
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Alkenes
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Alkenes
120°
120°
Trigonal planar
Trigonal planar
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Alcohols
104°
109.5°C
H
H
H
H
O
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Alcohols
104°
109.5°C
H
H
H
H
O
tetrahedral
Bent leniar
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Keytones
109.5°
120°
O
C
C
C
H
HHHH
H
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Keytones
109.5°
120°
O
C
C
C
H
HHHH
H
tetrahedral
Trigonal planar
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a = 109.5
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Diamond
Giant covalent structureTetrahedrally arranged with strong covalent bonds which makes Diamond extremely strong and which gives them high meltimg temp. and boiling temp. No free electrons to conduct electricity
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Graphite
Honeycomb pattern High melting temperature as graphite has giant stucture with stong covalent bondsEcah carbon atom covalently bonded to 3 others at 120 degree.The remaining outershell electron is free to circulate within each plane of atoms, contributing to graphites ability to conduct elcecrtcityBecause of weak Van der Waals forces between layers, Layers can slide over one and other, which means graphite can act as as a lubricant
Strong covalent bonds
Weak van der Waals forces
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Fullerence
Fullname : Bukministerfullerene Consists of pentagons and hxagonsThe bonding at each carbon atom in fullerenes resembles that in graphite.Three of the outer shell electrons are combined in covalent bonds with other atoms, while the fourth electron is delocalised over the whole molecule Unlike graphite which conducts, the fullerenes are good electrical insulators because the delocalised electrons cannot move between molecules (electrons are trapped inside the molecule)Comparing melting points : Diamond has got a giant covalent structure which carbon atoms hold each other by strong covalent bond . However, in buckminsterfullerene, atoms packed closely together but bound by weak Van der Waal's force
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Nanotubes Closed cage structureThe delocalised electrons in the graphite-like structure suggests that carbon nanotubes should conduct electricity.Uses : Cosmetic preperations,
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