Molecular Orbitals Flashcards

1
Q

Where are electrons in molecules found?

A

Electrons in molecules are found in molecular orbitals. Each molecular orbital can hold 2 electrons which must have opposite spins.

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2
Q

How are molecular orbitals formed?

A

The number of molecular orbitals formed is equal to the number of atomic orbitals that combined to form it. If 2 atomic orbitals combined, 2 molecular orbitals will be formed.

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3
Q

What are the two types of molecular orbital?

A

1) Bonding molecular orbital - This orbital has a lower energy than the atomic orbitals that combined to make it. This orbital holds the nuclei, and the attraction between the positively charged nuclei and negatively charged electrons is the basis of bonding between atoms.
2) Antibonding molecular orbital - This orbital has a higher energy than bonding molecular orbital and the atomic orbitals that combined to make it.

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4
Q

How is a sigma bond formed?

A

Sigma bonds are formed when the atomic orbitals overlap along the axis of the bond (end-on overlap).

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5
Q

How is a pi bond formed?

A

A pi bond is formed when the atomic orbitals overlap parallel to the axis of the bond (side-on.

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6
Q

Why is a carbon to carbon double bond not twice as strong as a carbon to carbon single bond?

A

Because side-on overlap (pi bonds) is much less efficient than end-on overlap (sigma bonds). This means that pi bonds are weaker than sigma bonds.

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7
Q

What is hybridisation?

A

Hybridisation is the process of mixing atomic orbitals within an atom to form a new set of degenerate hybrid orbitals.

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8
Q

How does sp^3 hybridisation in Carbon happen?

A

One of the paired 2s electrons is promoted to to the empty 2p orbital to form four hybrid orbitals known as sp^3 hybrid orbitals.

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9
Q

How can bonding in alkanes be explained.

A

Bonding in alkanes can be explained in terms of sigma bonds and sp^3 hybridisation. For example, in ethane, the 4 sp^3 hybrid orbitals on each carbon atom will overlap end-on with 3 hydrogen 1s orbitals, and the other sp^3 hybrid orbital from the other carbon atom. Therefore, ethane has 7 sigma bonds.

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10
Q

How can bonding in alkenes be explained?

A

Bonding in alkenes can be explained in terms of sp^2 hybridisation, sigma bonds, and pi bonds.

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11
Q

How does sp^2 hybridisation in Carbon happen?

A

One of the electrons in the 2s orbital is promoted to the remaining 2p orbital to make two half-filled, stable subshells. The 2s orbital then mixes with two of the 2p orbitals to form three degenerate sp^2 hybrid orbitals. The remaining 2p orbital is left unhybridised.

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12
Q

How does bonding in ethene happen?

A

The sp^2 hybrid orbitals adopt a trigonal planar arrangement to minimise repulsion. Each carbon atom forms sigma bonds with two 1s hydrogen orbital and with one sp^2 hybrid orbital in the other carbon. The remaining unhybridised 2p orbitals left on the carbon atoms overlap side-on to make a pi bond. Therefore, ethene has 5 sigma bonds and one pi bond.

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13
Q

What is the bonding continum?

A

The bonding contium goes from non-polar covalent bonds to ionic bonds, with polar covalent bonds inbetween.

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14
Q

Give the definition for non-polar covalent bonding, covalent bonding, and ionic bonding.

A

Non-polar covalent - Where the atoms in the bond have the same electronegativity so the electrons are shared equally.
Polar covalent - Where the atoms in the bond have a small difference in electronegativity so the electrons are shared slightly unequally. The atom with the higher electronegativity will have a slightly negative charge and vice versa.
Ionic - Where the atoms have a large difference in electronegativity so the electrons have been transferred from one atom to the other.

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15
Q

Describe non-polar covalent, covalent bonding and ionic bonding in terms of molecular orbitals.

A

Non-polar covalent - The bonding molecular orbital is completely symemetrical about the midpoint between the two atoms of the bond.
Polar covalent - The bonding molecular orbital is asymmetrical about the midpoint between the two atoms as the orbital is pushed more towards the atom with the greater electronegativity.
Ionic - The bonding molecular orbital embraces only one atom (containing both electrons of the bond) of the bond so there is extreme asymmetry.

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16
Q

What type of atomic orbital overlap results in the formation of:

a) a bonding sigma and anti-bonding sigma orbital.
b) a bonding pi and anti-bonding pi orbital.

A

a) a bonding sigma and antibonding sigma orbital is produced when 2 atomic orbitals overlap end-on, along the axis of the bond.
b) a bonding and antibonding pi orbital is produced when 2 atomic orbitals overlap side-on, perpendicular to the axis of the bond.

17
Q

Do electrons fill the bonding or antibonding orbitals first?

A

Bonding, because they have a lower energy than the antibonding orbitals. Therefore, under normal conditions the antibonding orbitals are empty.

18
Q

What is the HOMO and LUMO?

A
  • HOMO (highest occupied molecular orbital) is the orbital with the highest energy that contains electrons. (usuaally a bonding molecular orbital).
    LUMO (lowest unoccupied molecular orbital) is the lowest energy molecular orbital that is empty (usually an antibonding orbital).
19
Q

What type of light is likely to be absorbed when there is a large gap between the HOMO and LUMO?

A

Ultraviolet light - so the compound will be colourless.

20
Q

What is a conjugated system?

A

A molecule has a conjugated system if it contains a chain of alternating sigma and pi bonds (double bonds) or benzene rings as this allows electrons to be delocalised. An organic molecule must have a large degree of conjugation to be coloured.

21
Q

What effect does conjugation have on the HOMO and LUMO?

A

The greater the degree of conjugation, the smaller the gap between the HOMO and the LUMO, meaning light of a lower energy will be absorbed. This therefore increases the chance of the compound being coloured.

22
Q

What happens when the electrons absorb energy?

A

When electrons absorb energy, they move from the HOMO to the LUMO. The lower the gap, the less energy the electrons need to absorb so the more likely it is to be coloured.

23
Q

How can we tell what the colour of the compound will be?

A

The colour of the compound will be complementary to the colour absorbed (use colour wheel).

24
Q

What is a chromophore?

A

A chromophore is the group of atoms within a molecle that are responsible for the absorption of light in the visible region of the electromagnetic spectrum.