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Medicinal Chemistry > Molecular shape and bonding > Flashcards

Molecular shape and bonding Flashcards

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1
Q

Ionic Bonding

A

metal and non metal

transfer of electrons

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2
Q

Covalent Bonding

A

non metal and non metal

stare of electrons

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3
Q

Metalic Bonding

A

metal and metal

electrons pooled

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4
Q

Why do chemical bonds form?

A

because they lower the potential energy between the charged particles that constitute atoms.

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5
Q

What is Lewis Theory?

A

The valence electrons (outer) are held most loosely and hence used in bonding.

Elements in same column have same properties bc they have the same number of valence electrons.

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6
Q

What is the Octet Rule?

A

8 - is the most stable configuration for most atoms.

Atoms with transfer/share electrons to reach this.

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7
Q

Ionisation energy…

A

energy required to remove the electron.

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8
Q

Elements with low ionisation energies are..

A

electropositive.

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9
Q

Elements that readily acquire electrons are…

A

electronegative.

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10
Q

Lewis theory was not good at…

A

explaining other data e.g. the rigidity of carbon-carbon double bonds.

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11
Q

heisenberg uncertainty principle says…

A

The position and speed of electrons are complementary.

If we know one accurately, we can’t know the other accurately.

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12
Q

How are each orbits represented according to mathematical calculations?

A

1s - a small sphere
electron can be found anywhere

2s - a larger sphere
contains a node

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13
Q

What is the radial node?

A

Found in 2s orbital - a region where the probability of finding the electron falls to zero.

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14
Q

De Broglie

A

electrons have both particle-like and wave-like properties.

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15
Q

The node is a result of…

A

the wave-like behaviour of electrons.

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16
Q

Imagine plucking a guitar string…

A

Wave function (+) is the region above the rest position and (-) is below it.

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17
Q

Where is the node on a guitar string?

A

The region where the amplitude (maximum displacement) of the standing wave is zero.

18
Q

What are the shapes of the p-orbitals?

A

Dumbbell shaped.

They have a nodal plane that cuts the dumbbell into two lobes.

19
Q

There are three degenerate p atomic orbitals. What does this mean?

A

They all have the same energy.

2px orbital
2py orbital
2pz orbitals

20
Q

Energy of a 2p atomic orbital is ……… than the energy of the 2s atomic orbital

A

greater than

21
Q

Two main theories to describe a covalent bond:

A

Molecular orbital theory
- atomic orbitals are combined to make MO’s.

Valence-bond theory
- electrons within the molecule remain in the atomic orbitals, but we don’t know in which atomic orbital

22
Q

Addition of wave functions of two atoms leads to…

A

a bonding molecular orbital

23
Q

Subtraction of wave functions of the two atoms leads to..

A

an anti-bonding molecular orbital

anti just means its a higher in energy.

24
Q

What is a rule of molecular orbital theory?

A

If you put in 2 molecular orbitals, you must get 2 out.

25
Q

molecular orbitals for H1…

A

H2 is made of 2 1s orbitals.

1S a + 1S b
one is anti bonding (higher energy) and the other is a bonding.

26
Q

Where can the electrons be found in an anti-bonding orbital and in a bonding?

A

anti bonding - anywhere but the node

bonding - most likely between the nuclei.

27
Q

In summary

combining two 1s hydrogen atomic orbitals results in…

A

2 new molecular orbitals with sigma symmetry.

one is anti bonding
the other is bonding

28
Q

What happens when we combine to 2p atomic orbitals and they bind end on:

A

sigma anti bonding with 3 nodes

sigma bonding with 2 nodes

29
Q

2p atomic orbitals can also bind…

A

side on

pi’ anti-bonding with 2 nodal planes

pi’ bonding with 1 nodal plane

30
Q

Which is stronger - a pi bond or a stigma pond?

A

stigma

31
Q

End on end overlap gives a greater…

A

overlapping of p atomic orbitals

32
Q

What is Hybridisation?

A

where various combinations of orbitals are used to make new hybrid orbitals in order to simplify the maths.

33
Q

What would we get if we mixed 2s and 2p orbitals together? What does this tell us?

A

sp3 orbitals

they are degenerate = same energy and same shape.
made up of:
1/4 S and 3/4p

34
Q

How do the sp3 orbitals arrange themselves?

A

in a spatial arrangement - to minimise electron repulsion.

gives a bond angle C-H of 109.5 tetrahedral

35
Q

Shape for the bond angle

180 d
120 d
109.5 d

A

180 - linear
sp hybridisation

120 - trigonal planar
sp2
109.5 - tetrahedral
sp3

36
Q

How to know what the hybridisation is?

A

2 electron groups - sp

3 groups - sp2

4 groups - sp3

double bond counts as one. lone pair counts as one electron group.

37
Q

All single bonds

A

are sigma bonds

38
Q

all double bonds have

A

one sigma and one pi bond

39
Q

all triple bonds have

A

one sigma bond and two pi bonds

40
Q

Why is hybridisation important?

A

because it relates to drug structure.

drug structure is controlled by functional groups which s related to valency and hybridisation.

Medicinal Chemistry (2 decks)

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