lecture 6!!! Flashcards

1
Q

what quantum numbers from last year do we need to think about when we think of the H atom

A

n
l
ml

we dont need to think of ms bc H only has 1e- and it doesnt rlly matter if its spin up or spin down

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2
Q

what is spin orbit coupling all about

A

a moving charge can and does generate a magnetic field

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3
Q

the solution to the angular schrodinger equation gives what

A

l

the angular momentum
it gave us orbitals

and told us that l can have values of 0 –> n-1

but they need to be integers, ,they cant be a decimal plave

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4
Q

what does l and ml tell us about

A

tells us about the motion of an e-

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5
Q

what is l

A

the orbitals angular momentum

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6
Q

how does spin affect angular momentum

A

the more spin,, the more angular momentum

think of it like:
hands stuck out spinning > hands tucked in spinning.

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7
Q

what is angular momentum tho

A

the amount by which an e- is spinning arounda fixed proton in the middle

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8
Q

what is S

A

spin angular momentum

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9
Q

what is the value of S and what is s

A

s is the spin angular momentum

s value = 1/2

it can either spin clockwise or anticlockwise

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10
Q

how many magnetic fields are there inside an atom

A

theres the orbital movement and the electron spin movement

SO THERES THE SPIN MAGNETIC FIELD AND THE ORBITAL MAGNETIC FIELD

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11
Q

whats cool about the e- spin and orbital magnetic field

A

they interact with eachother

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12
Q

which magenetic field in an atom is larger

A

the orbtial magnetic field is larger than the e- spin magnetic field.

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13
Q

how would the 2 magnetic fields like to interact with eachother

A

they would like to be opposites of one another : low energy arrangement, one spinning one way and the other spinning the other way.

the other arrangement is where theyre both spinning the same way,, this is a high energy arrangement and isnt favoured.

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14
Q

the size of the coupling depends on what

A

the magnetic field

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15
Q

everything is still only applicable tooo

A

the H atom

the whole interaction and ml and l is only for H..

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16
Q

so what is spin orbital coupling

A

the 2 magnetic fields in a atom// H atom: the orbital magnetic field and the e- magnetic field interact with eachother

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17
Q

what is j

A

the total angular momentum quantim numberrrr

from the orbital(l) and the e- spin (s=1/2)

describes how the l and s magnetic fields interact with eachother

DESCRIBES SPIN - ORBITAL COUPLING

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18
Q

how do we find the j value + describe how and conditions that need to be met

A

j is the total angular quantum number : so smt to so with the s and l magnetic fields

j = |l+-s|

the lines show that its an absolute value: it means that if the answer comes back negative,, we do the other sign,,, j must be positive

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19
Q

wait so if the j value = | l +- s| when do we add s and when do we subtract s

A

we add the s to the l value if the orbital and e- spin magnetic fields have a high energy arrangement: aka if theyre both spinning up in terms of the arrows.

we take the s away from the l value if theres a low energy arrangement: aka when the things are spinning in the opposite direction: when one arrow is pointing up and the other arrow is pointing down.

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20
Q

what does j primarily depend on

A

j depends primarily on the l value

bc the l value can be 0–> ‘n-1’ whereas ‘s’ will always be = 1/2 bc its the electron spin

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21
Q

what is the ground state of a H atom:
- its e- configuration
- its l value
- its s value
- possible j values

A

1e- only
so 1s^1 is the ground state e- configuration

l = o (bc its 1s)
s = 1/2 bc obvsss its an e-

j = 0 + (1/2)
j = 0 - (1/2)

but the j value is an absolute value,, meaning it has to be positive,, so the only optioon we really have for the total angular momentum quantum number issssss

j = 0 +1/2 = 1/2 or 0.5 if u will 💗 so easy girl u can do this!!!!

22
Q

if l = 0 ,,, what does this tell ussssssssss

A

s is the only other magnet

s= 1/2 which is an actual value

l = 0 ,, this isnt an actual value

so if l = 0 this means that there is only the s magnet.

so no 2 magnets = no interaction between the 2 = no spin orbital couplinggg 🤭

the only motion + magnetic field we have is due to the e- spinning ,, not the orbital spinning bc its l = 0. a cirlce which is the same all round.

23
Q

1st interesting excited state of H

A

2p1

bc 2s1 is still l=0 and s=1/2

24
Q

do the whole breakdown of a 2p1 excited state

A

n = 2 but we can ignore this bc this doesnt twll us about motion 💸

l = 1 = p
s = 1/2 bc its an e- duh

j = |l+- s |
j = 1 + 1/2
j = 1 - 1/2

as they both give positive values j = 1/2 and 3/2

SO THERE ARE 2 MAGNETIC FIELDS BC NOTHING IS EQUAL TO 0,, MEANING THEY INTERACT,, MEANING THERE IS SPIN ORBITAL COUPLING

25
Q

do the whole breakdown for the 3d1 electron config

A

n = 3 but it doesnt tll us about motion so we ignore.

l = 2 = d
s = 1/2 bc its an e- duhhh

j = | l +- 1/2 |
j = 2 + 1/2 = 2.5
j = 2 - 1/2 = 1.5

both work as theyre both positive

meaning theres 2 magnetic fields bc theres e- spin motion and orbital motion,, which can interact with eachother to giveeeee SPIN ORBITAL COUPLINGGGGGG

26
Q

what is meant by fine structure

A

fine structure describes what a ‘single energy level’ actually is.

27
Q

describe the fine structure energy graph

A

y axis = energy

x axis = increasing l value.

increase in ‘n’ as u go up the y axis obvs

s -> p -> d going to the right

the s shells dont split up into high/ low energy bc theres no spin orbital coupling

the p shells split into high and low energy bc p = l = 1 so u can get 1.5 or 0.5 (different energy)

28
Q

the gaps within the shell in the fine structure energy diagram can be seen,, what does the energy gap depend on thooooo

A

depends on the j , l and s quantum numbersssss!!!!

29
Q

the larger j value hasssss what energy

A

high energy (more unstable)
higher j value bc u added the different magnetic fields meaning they were in the high energy arrangement… both spinning the same way.

30
Q

how do we get a larger magnetic field

A

by having a larger atomic number

larger atomic number =
larger nuc charge =
e- is closer to nuc =
e- is going to spin around it faster =
higher magnetic field bc more faster motion!!!!

31
Q

okay so will H or Cs have a larger magnetic field

A

the Cs!!!

bc it has a larger atomic mass = larger Z = e- is pulled in more = spins faster around the nuc = more motion = larger magnetic field
= larger gap between the different energy j values. = LARGER SPIN ORBITAL COUPLING VALUE.

allso kinda think of the radius and think that a larger radius will give u a larger magnetttttt. so the j value separation will be largerrr.

32
Q

higher j value can be written assss

A

1/2 hcA

A is large for heavy atoms.

33
Q

lower j value can be written asssss

A
  • hcA

A is smaller for smaller// lighter atoms.

34
Q

what unit does A have

A

cm-1

wavenumber vibessssss

35
Q

how does the value of A change down the group

A

down a group = heavier the atom = larger the A value.

so u get a larger energy split between the different j values of the same shell.

36
Q

okay so so far all this is only applicable tooooo

A

only applicable to the H atommmmm!!

the magnetic fields interacting and the different j values and all this is.

37
Q

okay so for multielectron atoms what is Y

A

Y(1,2)
= Y(1) Y(2)

u multiply them together

38
Q

helium ground state config ,, it has 2e-

A

1s2

39
Q

helium excited states

A

1s1 2s1
1s1 2p1

40
Q

whats so different between the e- in hydrogen and any other atoms e-

A

in hydrogen that e- cannot interact with any other e- as there is no other e-.

in multielectron atoms,, the electrons will interactttttttt.

41
Q

how do we evaluate the total angular momentum when we have a multielectron atom

A

we use russel saunders coupling !!

the ‘complex’ thing but we’ve got this 🤭

42
Q

what are the steps involved in russel saunders’ evaluation of j for multielectron atoms

A
  • start with configuration
  • l (orbital momentum) = strongest interaction
  • s (e- spin momentum)

then the j value + their interactions!!

43
Q

for a multi electron atom there are many e-, meaning each has its own set of quantum numbers that describe it,, meaning what

A

each e- in an atom will have its own l value

these group together to give the atoms L value.

44
Q

okay girl 👩‍🏫 how what is L again and how do we find it

A
  • for multi electron atoms there are many e- and each will have its own l value (aka angular momentum aka orbital shape)
  • so we need to combine these to give ‘L’ which is the l of the whole atom. big L bc lots of little l’s.

to find L:
l1+l2-0,, l1+l2-1,, l1+l2-2,, l1+l2-3,,,,,,,,, until |l1-l2|

,,,, = in steps of 1

45
Q

L for He ground state

A

He ground state = 1s2
1s1 and 1s1

gives l1 = 0
gives l1 = 0
bc theyre both in the s shell = l = 0

L = 0+0,,,, |0+0| = 0

if theres no angular momentum in both e- u can make it out of thin air,, so its obs gonna be 0.

so L for He g.s = 0 = S big S bc for the whole atom

46
Q

if L = 0 what is it called

A

S big S

bc L = 0 = s orbital

but bc its for the whole atom its capital : S

S state

47
Q

ground state for the whole He atom is what

A

its an S state

found using russel saunders

48
Q

okay how do we find the acc value of S aka the spin of the whole atom

A

same way as we find the L

but usig 1/2 bc e- can only have spin = 1/2

so [(1/2+1/2)-0], [(1/2+1/2)-1], [(1/2+1/2)-2] ,,,,, |1/2-1/2|

it should acc be s1 + s2 but s will always be 1/2 so do ur thing girl!!

1,0

49
Q

multiplicity equation

A

2S + 1

u use the whole atoms spin : S which u find using the ‘in steps of 1’ thing.

if S = 1, 0

2x1+1 = 3 so u have a triplet
2x0+1 = 1 so u have a singlet

50
Q

singlet S value

A

s = 0

bc 2S+1

51
Q

finding J for the whole atom,, notive how we use small j for the e- and big J for the atom : okay so how do we find J for the atom

and what should we not include for He ground state

A

we use every combo of L and S resultsssss

J = L+S-0 ,, L+S-1,,,,,, |L-S|

L=0,, S=1 is one combo : J=0+1 tilllll |0-1| so 1,,,1 = 1

L=0,, S=0 is another combo
J=0+0 –> |0-0|= 0

do every combooooo of L and S. takes time so dont worry girl .

so possible J values = 1 and 0

He:gs: 1s2: 2 e- in the 1s: u cant use the S=1 bc that means youve added the spins of both e-: u did 1/2 + 1/2 meaning they have the same spin,, which goes against the pauli exclusion principle: so u acc shouldnt invlove S=1 for the combo!! so the J value is only 0 (the J where L=0 and S=0)

52
Q

aka to find J what equation do we use + when should we not bother with the equation

A

J = L+S-0, L+S-1, L+S-2,,,,,, |L-S|
u use the values of S and L

u do this whole thing for every possible combination of S and L values!!

we shouldn’t bother when we’re doing the S=1 for He. bc this means the e- go against the pauli exclusion principle!! bc it means they have the same spin.