Atomic Orbitals & Molecular Orbitals Flashcards

(68 cards)

1
Q

What is the hybridization of an atom that participates in resonance? What is the evidence?

A

One orbital lower (sp3 becomes sp2) & also the LP on the atom is in P
Evidence: atom has the ability to form a = bond w/ the other atom. So, we are using the LP e- to form a = bond & so cannot be in an sp2 or sp3 orbital

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2
Q

Why is tetrahedral N always achiral?

A

Bc its undergoes inversion so fast that its enantiomers form a racemic mixture

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3
Q

Can e- be present in antibonding orbitals?

A

Yes, but only 1. If there were 2 e- in antibonding orbitals, the compound would be unstable

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4
Q

Which is higher in energy, 2s or 2p? Wei shi ma? Porque?? Laai’sh?

A

2p is higher in E bc it has a node. Bc 2s doesn’t have a node, its e- can be closer to the nucleus in the 2s orbital

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5
Q

How does an electron behave?

A

Electron behaves as both a particle (e- orbits nucleus) and a wave (2 waves in ocean overlapping to create calm waters)

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6
Q

What did Schrodinger do?

A

Help us think of electrons as waves

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7
Q

What do we produce when we solve Schrodinger’s equation? What do these solutions describe?

A

Wave function (Y or psi) are the solutions, and wave functions describe orbitals

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8
Q

What do Schrodinger’s equations describe?

A

The location of a particular e-

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9
Q

Probability Density

A

How likely it is to find an e- in that volume
Probability density = psi^2 = orbital

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10
Q

What chance do you have of finding a 1s e- in its 1s orbital?

A

95%

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11
Q

Where is the s-block?

A

first 2 columns, including He

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12
Q

p-block location?

A

right side of periodic table

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13
Q

What do the + and - of orbitals mean?

A

it deals with the + and - sides of the wave function and nothing with the charge

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14
Q

What has lower energy 1s or 2s?

A

1s because e- closer to nucleus

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15
Q

Aufbau Principle

A

Orbitals fill in order of increasing energy (e- nearest to nucleus are more stable)

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16
Q

Pauli Exclusion Principle

A

Only 2 e- can occupy same orbital and their spins must be paired (draw 1 arrow up & another down)

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17
Q

Hund’s Rule

A

Fill orbitals of = E (degenerate) w/ 1 e- first and then double-fill when all full

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18
Q

Which atomic orbital lobe of p orbtial do e- go in?

A

Any (can put e- in same lobe or 1 in each lobe); but spin of e- is up

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19
Q

How should you write the e- configuration for p orbitals?

A

Separate them!
Ex:
1s2 2s2 2px1 2py1 2pz0
- fill x then y then z & then doublely fill

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20
Q

Hybridized Atomic Orbitals

A

Mixing of orbitals

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21
Q

Why do atomic orbitals hybridize?

A

To increase overlap when forming a bond and thus make the bond stronger and more stable
- more detail: when you hybridize, you bring in s-character to something that would otherwise have only had p-character & by bringing in this s-character, you bring the e- closer to the nucleus, which makes them more stable

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22
Q

How do you know the energy level of an orbital?

A

Look at the highest shell the element is in

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23
Q

How many hybrid orbitals do 4 AO’s make?

A

4

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24
Q

When will the s character in a hybridized orbital be bigger?

A

When the orbitals are in-phase

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25
What are sp3 orbitals made from? How many of them are there?
2s, spx, 2py, 2pz. Makes 4 lobes on each side (8 total)
26
How many e- domain groups are in an sp3 hybridized C?
4
27
Angle of sp3 hybdrizied C?
109.5 degrees
28
sp3 shape?
tetrahedral
29
What % of sp3 is s and what % is p?
s-character: 25% p-chracter: 75%
30
e- are more stable in which orbital, one with more s or p character? Why?
s-character bc closer to nucleus and thus can form bonds that are stronger (and shorter)
31
How many e- domains in sp2?
3
32
Angle of sp2 hybridized C?
120 degrees
33
sp2 shape?
trigonal planar
34
What % of sp2 is s and what % is p?
s-character: 33% p-character: 67%
35
What % of sp2 is s and what % is p?
s-character: 33% p-character: 67%
36
What are sp2 orbitals made from? How many of them are there?
2s, 2px, 2py, 2pz except one of the 2p orbitals is not hybridized
37
How do you draw sp2 orbitals?
3 big lobes of sp2 (along w their smaller lobes) & 2 big lobes of p on either side
38
Where do you put the e- in an sp2 hybridized C?
C has 4 e-, 1 will be in each lobe, (3 sp2 & 1 p) and there will be 1 empty p
39
Where do you put the e- in an sp2 hybridized N?
N has 5 e-: 1 will be in each lobe, (3 sp2 & 1 p), and there will be two e- in 1 sp2 and 1 empty p
40
How do you draw sp3 orbitals?
4 big lobes of sp3 (along w their smaller lobes)
41
How do you show overlap in a drawing of orbitals?
Dashed line
42
What orbitals overlap between 2 sp2 hybridized C?
the Ps in each C
43
How many nodes in 3s?
2
44
How many nodes in 3p? 2p?
3p: 2 (1 radial & 1 angular) 2p: 1
45
Node (in MO context)
area with no e- density
46
Angle in sp hybridized?
180 degrees
47
What are sp2 orbitals made from? How many of them are there?
2s, 2px, 2py, 2pz except 2 of the 2p orbitals is not hybridized
48
Amide
acyl (Carbonyl w/ R or H) bonded to N
49
How many s3p2 hybridized orbitals can an atom make?
s: 3/5 = 60% p: 2/5 = 40% Can use up to s (100%) & p (300%) - Can't make 2 s bc will go beyond 100% (60%+60% = 120)
50
How well can AO's overlap?
Not completely bc then the nucleus would get too close & the nuclei would repel--called nuclear (+) repulsion
51
How can we find an AO's optimal overlap distance?
Lowest dip in an PE graph
52
What type of interference do atomic orbitals depict when they hybridize to form MO's?
Both constructive and destructive
53
What is a bond in a bonding MO in terms of interference and probability?
An area of constructive interference (in-phase) & high e- probability when we look at psi^2 (wavefunction^2)
54
What is a node in an antibonding MO in terms of interference and proability?
An area of destructive interference (out-of-phase) low e- probability when we look at psi^2 (wavefunction^2)
55
Where is the e- density in a sigma bond? Pi?
Sigma: along axis Pi: not along axis
56
Bond order
(bondinge- minus antibondinge-)/2
57
What BO can't exist?
BO = 0 or less than 0 (neg) bc can't have a bond if have = numbers of bonding and antibonding or if have more antibonding
58
What is lower in energy? AO with s character or p?
more s = lower in energy (& more stable) bc closer to nucleus
59
Why would O's sp2 orbital be lower than C's sp2 orbital?
Bc O is more EN & so can accommodate more e- & so more stable
60
What is higher in energy, a pi made from p or a sigma made from sp2?
sigma made from sp2 is lower in energy bc sp2 is lower in E than p because it has s-character, which is closer to the nucleus & thus stabilizing
61
When is the change in energy greater?
When the gap between HOMO-LUMO is smaller
62
What happens if there is no energy match between HOMO & LUMO?
HOMO is lower than the LUMO
63
If a molecule is higher in EN, will it be lower or higher than the orbital of the other molecule?
Higher in EN means lower in E
64
How do you know how many nodes are in a Wavefunction graph for s orbitals
# of times x = 0 or energy level - 1
65
How many radial nodes in 2p & 3p?
2p: 0 3p: 1
66
Amine
Sp3, and all sigma/LP bonded to N
67
How can u tell a nuclear node is present?
P orbital overlapping
68
How to determine LUMO?
Draw orbital diagram & if it's filled LP, can't be that, so look for bonds bc they have antibonding too