Quantum Mechanics- what are atoms made of ?

Quantum mechanics is a
set of mathematical
principles that attempts
to explain the behavior
of atoms and sub-atomic
Atomic Models
Why do we need
Quantum Mechanics ? Quantum Mechanics
Nature of Light
•Electromagnetic radiation can travel
through empty space. Most other types
of waves must travel through a
substance.
•The speed of light is always a constant.
•Wavelengths are measured between the
distances of either crests or troughs.
 Wave Theory Limitation

• Scientist thought light works just like water waves, until the photoelectric effect was
explained

• Wave theory predicts that electrons will be excited by light and leave the metal, when
enough energy is transferred to the metal from light. If the light is dim then it will take
longer to build up enough energy (lag in time) and can be accelerated by increasing the
light intensity.

• Einstein found that electrons left metal at given frequencies, independent of intensity. Metal
became exhausted at some point and electrons exhibited a particle nature resulting in the
concept of “photons” A Packet, carrying light energy, proportional to frequency E=hv (UV).
 Photoelectric Effect
Einstein's Nobel Prize
Energy in the form of light can
act as a particle
Certain higher energies
frequencies (UV) are
required to cause a physical
change, while low energy
waves (visible)do not; thus a
photon (packet of high
frequency particles (hv)),
rather than intense light, are
needed to eject an electron
from gold.

Once all the electrons are ejected the leaves will no longer
separate
Chemistry Atom is Organized Bohr Model
Quantum
Theory
Bohr Model of Hydrogen Atoms
 Bohr debate
Why Doesn’t the
electron
collapse to the
nucleus?
In classical mechanics, an
electron's orbit around an
atom is unstable because
it emits the energy it
would need to stay in
orbit as light.

Electrons are not little balls that can fall into the nucleus under electrostatic attraction. Rather, electrons are
quantized wavefunctions that spread out in space and can sometimes act like particles in limited ways.
An electron in an atom spreads out according to its energy. Once more accurate equipment was
developed the Wavelengths of the Line spectra were shown to be broader than a single
wavelength
 Bohr Equation
• Since the energy of a
photon is E= hc/wavelength
• the wavelength of the
photon given off is given by

• For wavelength R = 1.0974 X 10 7 m

-1

• If (-) absorption and if (+) emission

• For energy R = -2.18 X 10 -18

J
 Energy & Wavelength of red emission
• E = hf =hc/w 6.63 X 10-34 J/s /1000 J/kJ * 3.00 X 108 m/s / 6.58 X 10-9 m = 3.02
X 10-14 kJ

• E = -Rh (1/n2f) – (1/n2i) = - 2.18 X 10-18 J (1/22f) – (1/32i)

• E =-Rh (1/n2f) – (1/n2i) =-2.18 X 10-18 J (1/4) – (1/9)=- 2.18 X 10-18 J(0.139) =
3.03X10-14 kJ

• 1/w = R (1/n2f) – (1/n2i) = 1.0974 X 10 7 m -1 (1/22f) – (1/32i)

• 1/w = R (1/n2f) – (1/n2i) = 1.0974 X 10 7 m -1 (0.25) – (0.111)

• 1/w=R (1/n2f) – (1/n2i) = 1.0974 X 10 7 m -1 (0.139) = 1/1.52 X 10-6

m/109nm/m= 658nm
Chemistry Quantum Mechanics Organized Chaos
Problem Bohr’s model only works for Hydrogen, larger atoms are more complex

de Broglie and Heisenberg to the rescue!

Wave/Particle Uncertainty
Duality Principle

An Electron has a position in an orbital based on wave

probability
 Schrodinger's
equation
Schrodinger's time-independent equation can be solved analytically for
a number of simple systems. The solutions for bound systems give three
quantum numbers, corresponding to three co-ordinates, and an
approximate relativistic correction is possible by including fourth spin
quantum number. A Wave, is the only genuine physical reality, and
under the appropriate conditions it can show features of particle-like
Quantum numbers arise in the process of solving
the Schrodinger equation by constraints or
boundary conditions which must be applied to get
the solution to fit the physical situation. The case of
a particle confined in a three-dimensional box can
be used to show how quantum numbers arise.
Foundational to this process is the nature of the
quantum mechanical wavefunction and its root in
probability. For a particle in space, the
wavefunction can be written:
Schrodinger's equation

From 0 to infinity

This wavefunction is subject to the constraints

For a free particle, the x, y and z directions can be
governed by independent probabilities, and the
nature of probability suggests the possibility of
writing
the wavefunction as the product of probability
 Probability of speed and location

Baseballs, like electrons follow a variable pattern of flight, leading to a

lack of certainty for the batter.
Quantum numbers
Solution of Schrodinger’s Equation yields Quantum Numbers
• Quantum numbers are important because they can be used to determine the electron configuration of an
atom and the probable location of the atom's electrons. Quantum numbers are also used to determine
other characteristics of atoms, such as ionization energy and the atomic radius

• The principal quantum number, (n), describes the energy of an electron and the most probable distance
of the electron from the nucleus. In other words, it refers to the size of the orbital and the energy level an
electron is placed in.

• The azimuthal quantum number (l) is a quantum number for an atomic orbital that determines its orbital
angular momentum and describes the shape of the orbital. ... It is also known as the orbital angular
momentum quantum number, orbital quantum number or second quantum number, and is symbolized as ℓ

• The magnetic quantum number (m) determines the number of orbitals and their orientation within a
subshell. Consequently, its value depends on the orbital angular momentum quantum number l . Given a
certain l , m is an interval ranging from –l to +l , so it can be zero, a negative integer, or a positive
integer.

• The spin quantum number (s) does not depend on another quantum number. It designates the
direction of the electron spin and may have a spin of +1/2, represented by↑, or –1/2, represented by ↓.
This means that when ms is positive the electron has an upward spin, which can be referred to as "spin
up." When it is negative, the electron has a downward spin, so it is "spin down." The significance of the
electron spin quantum number is its determination of an atom's ability to generate a magnetic field or not.
(Electron Spin.) Note: spin QN not derived from the Schrodinger Equation

• Hund's rule: every orbital in a subshell is singly occupied with one electron before any one orbital is doubly
occupied, and all electrons in singly occupied orbitals have the same spin.
 Quantum Numbers Explained
Electrons fill from closest noble gas from left to right example Bromine 35e- [Ar] 4s 2 3d10 4p5

6 electrons
2 electrons

10 electrons

14 electrons

n2 = # possible orbitals n =12= 1// n =22= 4// n =32= 9 // n =42= 16

Atomic Orbitals
Although first organized on
sphere the Periodic Chart based
on relative reactivity, it
was later realized that
atoms are organized based
dumbbell on
Atomic structure, which
governs chemical
reactivity
clover

flower
 Atomic Orbitals
ℓ number = 0
m number = 0

ℓ number = 1
m number = -1,0,1

ℓ number = 2
m number = -2,-1,0,1,2

ℓ number = 3 m number = -3, -2, -1, 0, 1, 2, 3

Electron configurations
 In Summary
• Electromagnetic radiation travels as both a wave and particle
• The Energy of Electromagnetic radiation is “quantized” by frequency and can be
determined by E=hv
• Bohr explained that the colors of the line spectra correlate to electron tracks
within the atom. This established that electrons in the atom are organized in
discrete patterns
• The positions of electrons in the atom are responsible for chemical bonding
• Modern Quantum Mechanics uses a probabilistic wave functions to describe the
densities of electrons within the atom.
• Quantum Mechanics defines 4 orbitals, which make up the 4 shapes on the
periodic chart. The s (spherical) orbitals comprise the alkali metal and alkali
earth metal periods and contain 2 electrons. The p (3D dumb bell) orbitals
comprise the metalloids, non-metals, halogens and Nobel gas periods and
contain 6 electrons. The d (clover leaf) orbitals comprise the metal contain 10
electrons. The f orbitals comprise the Lanthanide and Actinide series contain 14
electrons.
• These wave functions correlate well with the data generated for the Law of
Deep Dives
Deep Dives