Quantum Mechanics and Wavefunction Flashcards

1
Q

What does wavefunction tell and why do we use it

A

It tells us how likely it is that an electron is at a particular place at a given time ( ψ or psi)
It is used because we know electrons do not have a well defined trajectory

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2
Q

How can you use wavefunction to work out the probability of finding a particle (Max Born)

A

the square of the wavefunction (ψ^2) = The probability of finding a particle in any region of space is proportional to

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3
Q

What did Erwin Schrodinger use wavefunction to work out

A

Used the concept of wavefunction to produce a mathmatical equation to calculate the behaviour of an electron (or other particle)
The allowed wavefunctions are found by solving the Schrodinger wave equation for the particle

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4
Q

Wavefunction can have positive and negative values, or a value of 0
When ψ = 0, what does this mean

A

The probability of finding an electron is 0
This is also known as a node

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5
Q

What is a caviat of the solutions for the Schrodinger wave equation

A

Solutions are only possible for certain energies

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6
Q

The probability density for a particle at any point is proportional to what?

A

The square of the wavefunction at that point

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7
Q

In Y1 organic chem, we are concerned about the answers that can be obtained from the Schrodingers equations in the following form:
What does R and Y stand for

A

R = Radial wavefunction
Y = Angular wavefunction

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8
Q

Each allowed solution (wavfunction) of the Schrodingers equation for the hydrogen atoms defines what?

A

An allowed atomic orbital

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9
Q

How do you convert polar coordinates (r,θ) into cartesian coordinates (x,y,z)

A

Polar coordinates = (R, θ)
R = radius and θ = angle measures from the x axis
x = Cos(θ) x R
y = Sin(θ) x R

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10
Q

How do you convert from cartesian coordinates (x,y) into polar coordinates (r,θ)

A

r = √x² + y²
θ = tan⁻¹ (y/x)

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11
Q

Solutions to the 3D schrodinger equation is describe by 3 quantum numbers
What are these

A

n = principle quantum number
l = orbital angular momentum quantum number
ml = magnetic quantum number

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12
Q

What does the Pauli exclusion principle state

A

No two electrons in any system can have identical values for all 4 quantum numbers
It places a restriction on the allowed values of the 4 quantum numbers

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13
Q

Describe the First quantum number: principle quantum number, ‘n’

A

It represents the energy level of the elctron (e.g. for Hydrogen this would be 1)
can have any postive integer value
Each orbital will have a ‘n’ value and the larger the value of n, the further away from the nucleus it is

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14
Q

What is the quantum number ‘l’

A

Angular momentum quantum number
Can have any value from 0 to n-1
l value describes the shape of the orbital
When l=0 we are describing an s orbital
When l=1 we are describing a p orbital (3 p orbital per energy level)
When l=2 we are describing a d orbital (5 d orbitals per energy level

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15
Q

If n= 3
What would the value of the quantum number l

A

L = 0, 1, 2

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16
Q

What is the quantum number ml

A

Magnetic quantum number
ml = -l to +l
This quantum number determines how many orbitals there are of a type per energy level
Hence describtes a specific orbital amongst a particular set

17
Q

If l=0
What would ml be
hence what does this show

A

ml = 0
Why there is only one S orbital per energy level

18
Q

If l=1
What is the value of ml
What does this show

A

ml = -1, 0,+1
3 ml vlaues, hence 3 p orbitals per energy level

19
Q

If l=2
What is the ml value
Hence what does this indicate

A

ml = -2, -1, 0, +1, +2
5 ml values, hence 5 d orbitals per energy level

20
Q

What is the quantum number ms

A

Spin quantum number
This value is always +1/2 or -1/2
Every orbital can only hold 2 electrons with opposite spins

21
Q

The emission spectrum of hydrogen consists of a series of lines at specific wavelengths
Rydberg developed an equation which related the wavelength of light to the transition between energy level (n)
What is this equation

A

λ = wavelength (m)
Rh = Rydberg’s constant = 1.097x10^7 m-1

21
Q

We can consider the graphs of radial wavefunctions [R] plotted against the distance of the electron from the nucleus [r]
What does the graph look like for n=1

A
22
Q

When radial wavefunction [R] is plotted against the distance of the electron from the nucleus [r]
What do the graphs look like for n=2

A

l = 0,1

23
Q

What will the graphs look like when radial wavefunction [R] is plotted against distance of electron from the nucleus [r]
When n = 3

A

l = 0,1,2

24
Q

However we are more intrested in the probability of finding the electron at a given distance from the nucleus
Hence to show the probability of finding an electron in a spherical shell at a distance [r] from the nucleus, we plot the area of a sphere against [r]
What would this look like for n=1

A

l = 0

24
Q

For n = 2, what does the graph of the probability of finding an electron against the distance from the nucleus

A

l = 0, 1

24
Q

for n=3, what would the graph look like when probability of finding an electron is plotted against distance from the nucleus [r]

A

l = 0, 1, 2

24
Q

What are 4 key points about radial probability functions

A
  1. They tell us about the likely size of the orbtial
  2. As n increases for a given value of L, the distance of maximum probability increases i.e. size increaes
  3. There is a small (but>0) probability of finding the electron a long way from tne nucleus - hence an accurate definition of size is not easy
  4. There are often distances from the nucleus with zero probability - called nodes (this can be worked out by n-l-1)
24
Q

The overal shape and oritentation of an orbtial depends on what two quatum numbers

A

l = orbital angular momentum quantum number
Ml = magnetic quantum number
As the shape are independent of n, all orbtials of the same type have the same shape e.g. 1s and 2s and 3s are all spherical

25
Q

How is the number of angular nodes calaculated

A

it equals l (or is n-1)
the orbtial angular momentum number

26
Q

What is the significance of the shape of orbitals

A

Provides the basis for the structure and reactivity of compounds

27
Q

What does the shape of the s orbital look like

A
28
Q

What does the p orbital look like in the x, y and z axis’

A