Quantum

Theory &
Atomic
Structure

01
Prepared by: Michael Angelo R. Circulado
Electromagnetic Radiation

• All types of electromagnetic radiation consist of energy propagated by electric and

magnetic fields that increase and decrease in intensity as they move, wavelike, through
space.
• A thorough
knowledge of
electromagnetic
radiation is needed to
understand atomic
theory.
Electromagnetic Radiation

• The wave properties of electromagnetic radiation are described by three variables and
one constant:
1. Frequency (ν) - the number of complete waves, or cycles, that pass a given point per
second; unit is s-1 or hertz (Hz)
2. Wavelength (λ) - the distance between any point on a wave and the corresponding
point on the next crest (or trough) of the wave, that is, the distance the wave travels
during one cycle
3. Speed - the distance it moves per unit time (m/s); product of frequency and
wavelength
• In a vacuum, electromagnetic radiation moves at 2.99792458×108 m/s (or 3.00×108 m/s
to 3 sf), a physical constant called the speed of light (c)
• c=ν×λ
• Frequency and wavelength have an inverse relationship: ν↑λ↓ and λ↑ν↓
Electromagnetic Radiation

4. Amplitude - the height of the crest (or depth of the trough); it is related to the
intensity of the radiation
Electromagnetic Radiation

• Sample problem:
• A dental hygienist uses x-rays (λ = 0.50 Å) to take a series of dental radiographs while the
patient listens to a radio station (λ = 325 cm) and looks out the window at the blue sky (λ
= 473 nm). What is the frequency (in s-1) of the electromagnetic radiation from each
source?
Wave Properties of Light

• Matter usually comes in chunks that can be held,

weighed, and changed in quantity. In contrast, energy is
“massless” and its quantity can change continuously.
• Matter also move in specific paths, whereas radiant
energy (light) travels in diffuse wave.
1. Refraction and dispersion.
• Refraction - a phenomenon in which a wave changes its speed and therefore its direction
as it passes through a phase boundary into a different medium
 Wave Properties of Light

2. Diffraction and interference

• Diffraction - the phenomenon in
which a wave striking the edge of
an object bends around it
• When waves of light pass through
two adjacent slits, the nearby
emerging circular waves interact
through the process of
interference, which can either be
constructive or destructive.
Particle Nature of Light: Blackbody Radiation

• When a solid object is heated, it first turns red then glowing orange. Thus, there is a
relationship between the energy given off by a hot object and the wavelength of the
emitted radiation (color).
• This can’t be explained by the classical wave model.

• In 1909, the German physicist Max Planck developed a formula and explained that hot,
glowing object could emit or absorb only certain quantities of energy.
Quantum Theory

E = nhν
• where E = energy of the radiation, ν is the frequency, n is a positive integer (1, 2, 3 and
so on) called a quantum number, and h is Planck’s constant (h = 6.626×10-34 J•s)
• Planck’s conclusion:
• The energy of an atom is quantized: it occurs in fixed quantities. Matter may gain or lose
energy only in specific amounts or energy “packets” called quanta (sg. quantum)
• Quantum - the minimum amount of energy that can be gained or lost by an atom and is
equal to hν
ΔE = hν
�
• And since, c = ν × λ or � =
�
ℎ�
Δ� = ℎν =
�
• This formula indicates that energy is directly proportional to frequency and inversely
proportional to wavelength.
Particle Nature of Light: Photoelectric Effect

• Albert Einstein proposed that light (or any type of EMR) is particulate, that is, it exhibits
the same properties exhibited by matter according to Planck’s postulate.
• He proposed that light is quantized into tiny “bundles” of energy, later called photons
(quantum of light).
Ephoton = hν
• Sample problem:
• A student uses a microwave oven to heat a meal. The wavelength of the radiation is 1.20
cm. What is the energy of one photon of this microwave radiation?
Atomic Spectrum of Hydrogen

• The Danish physicist Niels Bohr

suggested a model for the H atom
predicting the existence of line
spectra.

• Line spectrum - a series of fine lines at

specific wavelengths (specific
frequencies) separated by black
spaces
Bohr Model of the Hydrogen Atom

• Postulates of Bohr’s model

1. The H atom has only certain energy levels, which Bohr called stationary states. Each
state is associated with a fixed circular orbit of the electron around the nucleus. The
higher the energy level, the farther the orbit is from the nucleus.
2. The atom does not radiate energy while in one of its stationary states. Even though it
violates principles of classical physics, the atom does not change its energy while the
electron moves within an orbit.
3. The atom changes to another stationary state (another orbit) only by absorbing or
emitting a photon. The energy of the photon (hν) equals the difference in the energies
of the two states: Ephoton = Efinal - Einitial = hν
Bohr Model of the Hydrogen Atom

• Features of Bohr’s model

• Quantum numbers and electron orbit. The quantum number n is a positive integer (1, 2,
3, ...) associated with the radius of an electron orbit, which is directly related to the
electron’s energy: the lower the n value, the smaller the radius of the orbit, and the
lower the energy level.
• Ground state. When the electron is in the first orbit (n = 1), it is closest to the nucleus,
and the atom is in its lowest (first) energy level, called the ground state.
• Excited states. If the electron is in any orbit farther from the
nucleus (n > 1), the atom is in an excited state. With the
electron in the second orbit (n = 2), the atoms is in the first
excited state; when the electron is in the third orbit (n = 3),
the atom is in the second excited state, and so forth.
Bohr Model of the Hydrogen Atom

• Features of Bohr’s model

• Absorption. If an H atom absorbs a photon whose energy equals the difference between
lower and higher energy levels, the electron moves to the outer (higher energy) orbit.
• Emission. If an H atom in a higher energy level (with its electron in a farther orbit)
returns to a lower energy level (closer orbit), the atom emits a photon whose energy
equals the difference between the two levels.
Wave-Particle Duality of Energy & Matter
Heisenberg’s Uncertainty Principle

• In classical physics, a moving particle has a definite location at any instant, whereas a
wave is spread out in space. Then, is it possible to determine the position of an electron?
• In 1927, the German physicist Werner Heisenberg postulated the uncertainty principle,
which states that it is impossible to know simultaneously the position and momentum (p
= mv) of a particle.
Quantum-Mechanical Model of the Atom

• The quantum-mechanical model describes an atom with specific quantities of energy that
result from certain allowed values of its electron’s wavelike motion.
• The Schrödinger equation governs the wave function of the quantum-mechanical model.
Erwin Schrödinger postulated this equation in 1925.
• Wave function (Ψ) - a mathematical description of the electron’s motion
• The uncertainty principle says that the position of an electron can’t be known exactly at
any moment, but it is possible to know where it probably is. This information can be
obtained by squaring the wave function, Ψ2. This is called the probability density (electron
density).
• Node - region in an atom with zero electron density
Quantum-Mechanical Model of the Atom

• Schrödinger equation for a single electron moving in three dimensions:

• To describe the wave functions of hydrogen’s electron moving in three dimensions, 3

quantum numbers are needed. Each set of these 3 quantum numbers specifies a wave
function for the electron, called an atomic orbital.
• The probable location of an electron: electron density diagrams
Quantum Numbers of an Atomic Orbital

• An atomic orbital is specified by three quantum numbers, and it indicates the size, shape
and orientation in space of the orbital.
1. The principal quantum number (n)
• positive integer (1, 2, 3 and so forth)
• indicates the relative size of the orbital and hence the relative distance from the nucleus
• specifies the energy level of the H atom: the higher the n value, the higher the energy level
2. The angular momentum quantum number (l)
• an integer from 0 to n－1, thus it depends on the value of n; the no. of possible l values
equals the value of n. Example:
n = 1 → l = 0 (1 value)
n = 2 → l = 0, 1 (2 values)
• related to the shape of the orbital
Quantum Numbers of an Atomic Orbital

3. The magnetic quantum number (ml)

• an integer from -l through 0 to +l, hence l limits ml
• the number of ml values = 2l + 1 = the no. of orbitals for a given l
l = 0 → ml = 0 (1 value)
l = 1 → ml = -1, 0, +1 (3 values)
• the total no. of ml values for a given n value = n2 = the total no. of orbitals in that energy
level
• prescribes the three-dimensional orientation of the orbital in the space around the
nucleus
Quantum Numbers and Energy Levels

1. Level. The atom’s energy levels, or shells, are given by the n value: the smaller the n
value, the lower the energy level and the greater the probability that the electron is
closer to the nucleus.
2. Sublevel. The atom’s levels are divided into sublevels, or subshells, that are given by the
l value. Each l value is designated by a letter:
• l = 0 is an s subshell
• l = 1 is an p subshell
• l = 2 is an d subshell
• l = 3 is an f subshell
• A subshell is named with its n value and letter designation; e.g. the subshell with n = 2 and
l = 0 is called the 2s subshell
Quantum Numbers and Energy Levels

3. Orbital. Each combination of n, l, and ml specifies the size (energy), shape, and spatial
orientation of one of the atom’s orbital. For example:
• For the 2s subshell: n = 2, l = 0, ml = 0; one value of ml indicates one orbital in this subshell
• For the 3p subshell: n = 3, l = 1, ml = -1, 0, +1; three values of ml indicates three orbitals in
this subshell, one with ml = -1, one with ml = 0, and one with ml = +1
Shapes of Atomic Orbitals

• s Orbital. l = 0 and has a spherical shape with the nucleus at its center. Because a sphere
has only one orientation, an s orbital has only 1 ml value

• p Orbital. l = 1 and has two regions/lobes of high probability. The nucleus lies at the nodal
plane of this dumbbell-shaped orbital. Only levels with n = 2 or higher have a p orbital.
• p orbitals have different spatial orientations, 3 possible ml values are -1, 0, +1 and refer to
the p orbitals oriented along the x, y, and z axes
Shapes of Atomic Orbitals

• d Orbital. l = 2; five possible ml values are -2, -1, 0, +1, +2

• f Orbital. l = 3; seven possible ml values are -3, -2, -1, 0, +1, +2, +3

4fxyz orbital