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ELECTRONIC STRUCTURE

OF AN ATOM

Sidney Christian Montas, RCh


OBJECTIVES
• Explain the Heisenberg’s Uncertainty Principle
• Describe
how atomic orbitals arise from the
Schrodinger equation
• Relate orbital shapes to electron density distribution
• Qualitatively sketch the orbital shapes
• Interpret
the information obtained from a set of four
quantum numbers
• Assignthe correct set of quantum numbers for an
electron
Historical perspective
Atomic spectra
• Bunsen, Kirchhoff,
1860
1st spectroscope
1st line spectrum
• Lockyer, 1868
He in solar system
• Balmer,1885
H line spectrum
INADEQUACIES OF THE BOHR THEORY ENSUED…

a. Failure to account for the emission spectra of atoms


containing more than one electron.
b. Failure to explain why extra lines appear in a hydrogen
emission spectrum when a magnetic field is applied.
c. If electrons behave as waves, how can the position of a wave
be specified.
HEISENBERG UNCERTAINTY
PRINCIPLE
• It is impossible to know simultaneously both the momentum p
(defined as mass times velocity) and the position of a particle
with certainty.

• The significance of the inequality is that even the most


favourable conditions for measuring position and momentum, the
product of the uncertainties can never be less the expression at
right side of the equation.
PROBLEM NO 1.
• Theuncertainty in the momentum Δp of
a football thrown by Tom Brady during
the super bowl traveling at 40m/s is
1×10−6 of its momentum. What is its
uncertainty in position Δx? Mass=0.40kg
PROBLEM 2.
SCHRODINGER EQUATION
• Incorporates particle behaviour and wave behaviour,
treating the electron as a standing wave. The solution
to the Schrodinger equation in a wave function called
psi (ψ).
• The wave functions (ψ) are also atomic orbitals.
• Thesquare of the wave function (ψ) is proportional to
the probability of finding an electron
QUANTUM MECHANICAL
DESCRIPTION OF THE HYDROGEN
ATOM
• Although quantum mechanics tells
us that we cannot pinpoint an
electron in an atom, it does define
the region where the electron might
be at a given time. The concept of
electron density gives the
probability that an electron will be
found in a particular region of an
atom.
ATOMIC ORBITALS
• Region is space where electrons are most likely
found.
ASSESSMENT
1. This principle states that the
momentum and position of a particle
cannot be determined simultaneously
with high precision.
A.Aufbau Principle
B.Heisenberg Uncertainty Principle
C.Pauli Exclusion Principle
D.Building Up Principle
1. This principle states that the
momentum and position of a particle
cannot be determined simultaneously
with high precision.
A.Aufbau Principle
B.Heisenberg Uncertainty Principle
C.Pauli Exclusion Principle
D.Building Up Principle
2. He used the oil-drop experiment to
determine the charge of an electron
A.Rutherford
B.Dalton
C.Millikan
D.Bohr
2. He used the oil-drop experiment to
determine the charge of an electron
A.Rutherford
B.Dalton
C.Millikan
D.Bohr
3. Which of among the inadequacies
of the Bohr Theory is not true?
a. Failure to account for the emission
spectra of atoms containing more than
one electron.
b. Failure to explain why extra lines appear
in a hydrogen emission spectrum when a
magnetic field is applied.
c. Electrons behave only as a particle.
3. Which of among the inadequacies
of the Bohr Theory is not true?
a. Failure to account for the emission
spectra of atoms containing more than
one electron.
b. Failure to explain why extra lines appear
in a hydrogen emission spectrum when a
magnetic field is applied.
c. Electrons behave only as a particle.
4. He formulated a complex
mathematical formula that describes
both the particle and wave property of an
electron.
A.Planck
B.Dalton
C.Bohr
D.Schrodinger
4. He formulated a complex
mathematical formula that describes
both the particle and wave property of an
electron.
A.Planck
B.Dalton
C.Bohr
D.Schrodinger
5. What is the relationship between the
uncertainty in position and uncertainty
in momentum of an electron?
A.Directly Proportional
B.Inversely Proportional
C.Direct Square
D.Complicated
5. What is the relationship between the
uncertainty in position and uncertainty
in momentum of an electron?
A.Directly Proportional
B.Inversely Proportional
C.Direct Square
D.Complicated
QUANTUM NUMBERS
• Numbers that describe the probable location of
electrons in an atom.
• Theyare called the principal quantum number,
the angular momentum quantum number, and
the magnetic quantum number. The spin
quantum number —describes the behavior of a
specific electron and completes the description
of electrons in atoms.
Principal Quantum Number, n
• The principal quantum
number, n, describes the
energy level on which the
orbital resides.
• Largest
E difference is
between E levels
• The values of n are integers
> 0.
• 1, 2, 3,...n.
Azimuthal Quantum Number, l
• defines shape of the orbital.
• Allowed values of l are integers
ranging from 0 to n − 1.
• We use letter designations to
communicate the different values
of l and, therefore, the shapes
and types of orbitals.
Magnetic Quantum Number, ml
• Describes the three-dimensional
orientation of the orbital.
• Values are integers ranging from -l to l:
−l ≤ ml ≤ l.
• Therefore, on any given energy level,
there can be up to:
• 1 s (l=0) orbital (ml=0),
• 3 p (l=1) orbitals, (ml=-1,0,1)
• 5 d (l=2) orbitals, (ml=-2,-1,0,1,2)
• 7 f (l=3) orbitals, (ml=-3,-2,-1,0,1,2,3)
Spin Quantum Number, ms
• Thisleads to a fourth
quantum number, the
spin quantum number
ms.
• Thespin quantum
number has only 2
values +1/2 and -1/2
• Describes magnetic
field vector of
electron
Why do we call it “spin”
Because electrons
behave like little
magnets

Note: apparently
only two values for
the magnetic field
EXAMPLE
1. Determine the set of quantum numbers of the
electron in a Hydrogen atom.
2. Determine the sets of quantum numbers of the
electrons in a Helium atom.
3. Determine the sets of quantum numbers of the
last three electrons to occupy the orbitals in a
Carbon atom.
4. Determinethe set of quantum numbers of the l to
occupy the orbital of an Vanadium atom.
SAMPLE PROBLEMS
1.

2.

3.
REFERENCES
(1) Chang, Raymond and Goldsby, Kenneth A. (2016). Chemistry (12th
ed). New York: McGraw-Hill.
(2) Petrucci, Herring, Madura, and Bissonnette (2011). General Chemistry
and Modern Applications, 10th Ed. Pearson Canada, Inc.
(3) Zumdahl, S.S. and Zumdahl, S.A (2013).Chemistry, 8th ed. Cengage
Learning
(4) http://csi.chemie.tu-darmstadt.de/ak/immel/script/redirect.cgi?
filename=http://csi.chemie.tu-darmstadt.de/ak/immel/tutorials/
orbitals/hydrogenic.html
(5) http://winter.group.shef.ac.uk/orbitron/AOs/6g/

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