Quantum Mechanics Flashcards

1
Q

Quantum Mechanics

A

A system of mechanics that was developed from *quantum theory and is used to explain the properties of atoms and molecules. Using the energy *quantum as a starting point it incorporates Heisenberg’s *uncertainty principle and the *de Broglie wavelength to establish the wave-particle duality on which the *Schrödinger equation is based. This form of quantum mechanics is called *wave mechanics.

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2
Q

Bohr’s atom

A

An atom that can be explained using Bohr’s Theory. Only atoms with only one electron can be used to explain his theory. Ex: hydrogen, He⁺, Li²⁺, etc.

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3
Q

Quantum model

A

A model of the atom that applies principles of the quantum theory and/or wave-particle duality

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4
Q

line spectrum

A

Line spectra are discontinuous lines produced by excited atoms and ions as they fall back to a lower energy level.

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5
Q

Wave-Particle duality

A

The concept that waves carrying energy may have a corpuscular aspect and that particles may have a wave aspect; which of the two models is the more appropriate will depend on the properties the model is seeking to explain. For example, waves of electromagnetic radiation need to be visualized as particles, called *photons, to explain the photoelectric effect while electrons need to be thought of as de Broglie waves in *electron diffraction.

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6
Q

Louis de Broglie

A

He is best known for his 1923 theory of wave– particle duality, which postulated that particles such as *electrons can sometimes also be regarded as waves. This proved important in quantum theory.

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7
Q

de Broglie Wavelength

A

The wavelength of the wave associated with a moving particle. The wavelength (λ) is given by λ = h / mv , where h is the Planck constant, m is the mass of the particle, and v its velocity. The de Broglie wave was first suggested by Louis de Broglie in 1923 on the grounds that since electromagnetic waves can be treated as particles (photons) one could therefore expect particles to behave in some circumstances like waves.

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8
Q

Heinsberg’s Uncertainty Principle

A

The principle that it is not possible to know with unlimited accuracy both the position and momentum of a particle. This principle, discovered in 1927 by Werner *Heisenberg, is usually stated in the form: Δ x Δ p x ≥ h /4π, where Δ x is the uncertainty in the x -coordinate of the particle, Δ p x is the uncertainty in the x -component of the particle’s momentum, and h is the *Planck constant.

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9
Q

wavefunction

A

wave function A function ψ( r , θ , ϕ OR x , y, z) appearing in the *Schrödinger equation in wave mechanics. The wave function is a mathematical expression involving the coordinates of a particle in space. The physical significance of the wave function is that the square of its absolute value, |ψ| ² , at a point is proportional to the probability of finding the particle in a small element of volume, d x d y d z , at that point. For an electron in an atom, this gives rise to the idea of atomic and molecular *orbitals.

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10
Q

Orbital

A

A region in which an electron may be found in an atom or molecule. According to *wave mechanics, the electron has a certain probability of being in a given element of space. The probabilities of finding an electron in different regions can be obtained by solving the Schrödinger wave equation to give the wave function ψ, and the probability of location per unit volume is then proportional to |ψ| ² .
AKA the region in the atom where there is the highest probability of finding the atom.

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11
Q

Probability density

A

|ψ| ² , the probability of finding an e⁻⁻ in a given space belonging to the atom

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12
Q

the set of quantum numbers

A

n, 𝓁, m𝓁, ms

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13
Q

n

A

The principal quantum number n gives the main energy level and has values 1, 2, 3, etc. (the higher the number, the further on average the electron from the nucleus). Traditionally, these levels, or the orbits corresponding to them, are referred to as shells. The maximum number of electrons in a given shell is 2 n².

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14
Q

𝓁

A

The orbital quantum number 𝓁 , which governs the angular momentum of the electron. The possible values of 𝓁 are 0 to (n-1). Thus, in the first shell ( n = 1) the electrons can only have angular momentum zero ( 𝓁 = 0). In the second shell ( n = 2), the values of 𝓁 can be 1 or 0, giving rise to two subshells of slightly different energy. In the third shell ( n = 3) there are three subshells, with 𝓁 = 2, 1, or 0. The subshells are denoted by letters s ( 𝓁 = 0) (AKA the s-orbital) , p ( 𝓁 = 1), d ( 𝓁 = 2), f ( 𝓁 = 3). The number of electrons in each subshell is written as a superscript numeral to the subshell symbol, and the maximum number of electrons in each subshell is s 2 , p 6 , d 10 , and f 14 .

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15
Q

m𝓁

A

The magnetic quantum number m𝓁 , which governs the energies of electrons in an external magnetic field and refers to the 3D orientation of the orbitals around the nucleus. This can take values of + 𝓁 to – 𝓁 . In an s -subshell (i.e. 𝓁 = 0) the value of m = 0. In a p -subshell ( 𝓁 = 1), m can have values +1, 0, and –1; i.e. there are three p -orbitals in the p -subshell, usually designated p x , p y , and p z . Under normal circumstances, these all have the same energy level.

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16
Q

ms

A

The spin quantum number ms , which gives the spin of the individual electrons and can have the values +½ or –½. Refers to the upward or downward spin.

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17
Q

Pauli exclusion principle

A

*Pauli exclusion principle, no two electrons in the atom can have the same set of quantum numbers. The numbers define the quantum state of the electron, and explain how the electronic structures of atoms occur.
Therefore, a given orbital cannot contain two electrons with the same spin.

18
Q

n=1

what orbitals, m𝓁, number of orbitals and total e- is there?

A
𝓁=0
s-orbital
m𝓁 = 0
1 orbital
max: 2 e-
19
Q

n=2

what orbitals, m𝓁, number of orbitals and total e- is there?

A
𝓁=0,1
s and p-orbitals
m𝓁=0(s), -1,0,1 (p)
s-1 orbital, 2e-
p-3 orbitals, 6e-
8 total e-
20
Q

n=3

what orbitals, m𝓁, number of orbitals and total e- is there?

A
𝓁=0,1,2
s, p, d-orbitals
m𝓁=0(s), -1,0,1 (p), -2,-1,0,1,2 (d)
s-1 orbital, 2e-
p-3 orbitals, 6e-
d-5 orbitals, 10 e-
18 total e-
21
Q

what orbital is orbital 2d?

A

There is no 2d orbital. when n=2, orbitals s and p are present, not d.

22
Q

node

A

A node is a region where there is 0 probability of finding an e-. For a principal *quantum number n , the radial part has ( n – 1) nodes. Thus, the higher the energy of a *quantum state, the more nodes the wave function has. # of nodes = n-1

23
Q

r (10⁻⁻¹⁰)

A

the distance from the nuclease

typically runs along the x-axis

24
Q

probability density

A

|ψ| ²
probability of finding an e- in a given space of the atom
typically runs along the y-axis

25
Q

radial probability distribution

A

the probability of finding the electron within a spherical shell of space
typically runs along the y-axis

26
Q

as s orbitals n number increases…

A

their size increases and the number of nodes increases

27
Q

the p orbital shapes are written as

A

px, py, and pz

28
Q

the s orbital shape is

A

a circular sphere

29
Q

Orbital phase

A

The two different colors shown above in the p-orbitals represent different phases of
the wave function. The phase of an orbital is a consequence of the wave-like
properties of electrons. Different phases are separated by nodes.
Instead of colors, we can use the plus (+) and minus (-) signs to indicate the different
phases. These signs have no physical meaning but they are important when mixing
atomic orbitals to form molecular orbitals (you will learn about this later in the course).

30
Q

the d orbital shapes are written as

A

dᵪᵧ, dᵪz , dᵧz, dᵪ₂₋₋ᵧ₂ , dz²

with proper subscripts

31
Q

how do orbitals with the same n behave in a one e- atom vs atoms with more than one e-?

A

orbitals with the same n, that have only ONE e-, have the SAME energy
ex: hydrogen atom with n=2, the 2s and 2p orbitals have the same energy
orbitals that have the same n, but MORE than one e-, have DIFFERENT energy depending on which orbital
ex: when n=2, the 2p orbitals have more energy than the 2s orbital

32
Q

degenerate

A

Having quantum states with the same energy. For example, the five d -orbitals in an isolated transition-metal atom have the same energy (although they have different spatial arrangements) and are thus degenerate.

33
Q

Why do orbitals with the same n behave in a one e- atom differently than atoms with more than one e-?

A

in an atom with one e- there is only attractive forces between the nucleus and the atom but in a polyelectron atom there is also repulsive forces between electrons. This causes shielding which splits the orbital energies to be different.

34
Q

shielding

A

in atoms with more than one electron, the electrons in different orbitals have different energies. This is because electrons closer to the nucleus repel electrons in other orbitals that are further from the nucleus. This is called shielding as the e- closer to the nucleus shields the e- further away from having as strong of an attractive force to the nucleus. more shielding = provides more shielding= closer to the nucleus

35
Q

orbital penetration

A

an electron orbital is said to be more penetrating the closer it is to the nucleus (AKA how likely it will be closer to the nucleus since the electron doesn’t have a defined/certain position)
we show how penetrating an orbital is by using a graph that plots radial probability and the distance from the nucleus. If the line is high nearest to the nucleus (small r value) then it has a high probability of being near the nucleus and is more penetrating

36
Q

boundary surface

A

refers to the drawing of the shapes of the electron orbitals on a graph

37
Q

relationships between shielding, orbital penetration, energy, and orbitals

A

↑shielding, ↑penetrating, ↓energy, s-orbitals

↓shielding, ↓penetrating, ↑ energy, f or higher orbitals

38
Q

electron configuration

A

The arrangement of electrons about the nucleus of the atom.

39
Q

The Aufbau Principle

A

A principle that gives the order in which orbitals are filled in successive elements in the periodic table. The order of filling is 1 s , 2 s , 2 p , 3 s , 3 p , 4 s , 3 d , 4 p , 5 s , 4 d , 5 p , 6 s , 4 f , 5 d , 6 p , 7 s , 5 f , 6 d

40
Q

The order of filling the atomic orbitals is…? (you can go up to 6d)

A

1 s , 2 s , 2 p , 3 s , 3 p , 4 s , 3 d , 4 p , 5 s , 4 d , 5 p , 6 s , 4 f , 5 d , 6 p , 7 s , 5 f , 6 d