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Atomic Structure Part 2
Quantum Numbers
Electron Configuration
Dr.Chris
UP Aug.2016
What we will learn … part 2:
Review Lesson 1
• Atomic nucleus
atomic mass unit amu
• Isotopes / MS
• Bohr model of the Hydrogen atom
absorption and emission spectra
<-> energy levels in the atom = orbits
• Electron as standing wave
deBroglie: λ = h/p = h/(mv)
• Wavefunction for electrons in a “box”
leading to:
• Schroedinger equation (Energy of electron waves)
Emission spectra with single lines for each element
=> electrons must be on fixed orbits (n)
Each line with a wavelength λ corresponds to an
electron transition with an energy
∆E = E2 – E1 = h * c / λ  1/ λ = ν
wavenumber in cm-1
Energy unit “electronVolt” eV
= energy of 1 electron in a field of 1 V
1 eV => λ = 1240 nm
λ = 1240 nm / E [eV]
Check
• Which light will an electron emit, when it falls
from energy level 4 to 2 ?
(is it shorter or longer than from 4 to 3 ?)
• Which energy in eV will an electron bring from its ground level
to the first excited state ?
Describe the wavefunction and its energy
The function can be described as:
From this we find:
The kinetic energy is:
-> Schroedinger equation for 1 dimension:
http://www.nyu.edu/classes/tuckerman/adv.chem/lectures/lecture_6/node1.html
( is fixed with  = 2L)
Describe the wavefunction
http://hyperphysics.phy-astr.gsu.edu/hbase/quantum/pbox.html
normalization
Atomic structure part 2/3
From this we remember....
• The Schroedinger equation describes the energy of waves
(not just electrons, but all particles and also vibrations)
• This energy is proportional to the curvature of the wave
(which is the second derivative of the wave function )
• The energy of an orbit n becomes n2 for the next orbit
(or: the energy of the orbits increases quadratic)
• The wavefunction 2 (squared) describes the probability to
find a particle in a certain space x
SummarySummary
Uncertainty principle (Heisenberg 1927)
A further conclusion from the particle in the box model is that
the location of a small particle is related to its momentum p the
Heisenberg equation:
http://hyperphysics.phy-astr.gsu.edu/hbase/uncer.html#c2
Demo for the H-Atom model
http://www.youtube.com/watch?v=Fw6dI7cguCg
The whole story (29 mins):
http://www.youtube.com/watch?v=xrz_-l2akFA
Start Clip
Particle in the box - example
We can apply the idea on the ionization energy
for a C-atom:
h = 6.63 * 10-34 kg m2/ s2
me = 9.11 * 10-31 kg
1 J = 6.24 * 1018 eV
J eV=
From line spectra to wavefunctions (orbitals)
• Model the electron as a standing wave in
3D, we can describe the most likely places
of an electron and its energy from the
Schroedinger Equation
• If you want to know this in detail:
http://www.youtube.com/watch?v=7LBPXP09KC4
and: http://www.physicsforidiots.com/quantum.html
• This equation leads to 3 quantum numbers
which describe the energy and the
distribution of the electron in an atom
Quantum Numbers
When we extend the model of the particle in a box to 3
dimensions we have to use 3 quantum numbers:
3 quantum numbers
in spherical coordinates
• n: main quantum number (start with 1)
• l : angular “ ( 0,1 .. n-1)
• m: magnetic “ ( -l … 0 … +l )
• Electrons can live only in these “orbitals”
(spaces) defined by 3 quantum numbers
• Up to 2 electrons can exist in one orbital
“Observation” of quantum numbers
in line spectra
• Main spectral lines = n
• Fine structure = l
• With magnetic field:
Zeeman effect
magnetic quantum no. m
Questions
• How many orbitals are possible for the energy
level n = 2
and how many electrons can live there
maximum ?
• n = 2
 l = 0 and 1 (“s” and “p” level)
 m = 0 and -1, 0, +1 (px, y and z)
Atomic structure part 2/3
Part 2:
The order of energy
changes at Ca – Sc !

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Atomic structure part 2/3

  • 1. Atomic Structure Part 2 Quantum Numbers Electron Configuration Dr.Chris UP Aug.2016
  • 2. What we will learn … part 2:
  • 3. Review Lesson 1 • Atomic nucleus atomic mass unit amu • Isotopes / MS • Bohr model of the Hydrogen atom absorption and emission spectra <-> energy levels in the atom = orbits • Electron as standing wave deBroglie: λ = h/p = h/(mv) • Wavefunction for electrons in a “box” leading to: • Schroedinger equation (Energy of electron waves)
  • 4. Emission spectra with single lines for each element => electrons must be on fixed orbits (n) Each line with a wavelength λ corresponds to an electron transition with an energy ∆E = E2 – E1 = h * c / λ  1/ λ = ν wavenumber in cm-1
  • 5. Energy unit “electronVolt” eV = energy of 1 electron in a field of 1 V 1 eV => λ = 1240 nm λ = 1240 nm / E [eV]
  • 6. Check • Which light will an electron emit, when it falls from energy level 4 to 2 ? (is it shorter or longer than from 4 to 3 ?) • Which energy in eV will an electron bring from its ground level to the first excited state ?
  • 7. Describe the wavefunction and its energy The function can be described as: From this we find: The kinetic energy is: -> Schroedinger equation for 1 dimension: http://www.nyu.edu/classes/tuckerman/adv.chem/lectures/lecture_6/node1.html ( is fixed with  = 2L)
  • 10. From this we remember.... • The Schroedinger equation describes the energy of waves (not just electrons, but all particles and also vibrations) • This energy is proportional to the curvature of the wave (which is the second derivative of the wave function ) • The energy of an orbit n becomes n2 for the next orbit (or: the energy of the orbits increases quadratic) • The wavefunction 2 (squared) describes the probability to find a particle in a certain space x
  • 12. Uncertainty principle (Heisenberg 1927) A further conclusion from the particle in the box model is that the location of a small particle is related to its momentum p the Heisenberg equation: http://hyperphysics.phy-astr.gsu.edu/hbase/uncer.html#c2
  • 13. Demo for the H-Atom model http://www.youtube.com/watch?v=Fw6dI7cguCg The whole story (29 mins): http://www.youtube.com/watch?v=xrz_-l2akFA Start Clip
  • 14. Particle in the box - example We can apply the idea on the ionization energy for a C-atom: h = 6.63 * 10-34 kg m2/ s2 me = 9.11 * 10-31 kg 1 J = 6.24 * 1018 eV J eV=
  • 15. From line spectra to wavefunctions (orbitals) • Model the electron as a standing wave in 3D, we can describe the most likely places of an electron and its energy from the Schroedinger Equation • If you want to know this in detail: http://www.youtube.com/watch?v=7LBPXP09KC4 and: http://www.physicsforidiots.com/quantum.html • This equation leads to 3 quantum numbers which describe the energy and the distribution of the electron in an atom
  • 16. Quantum Numbers When we extend the model of the particle in a box to 3 dimensions we have to use 3 quantum numbers:
  • 17. 3 quantum numbers in spherical coordinates • n: main quantum number (start with 1) • l : angular “ ( 0,1 .. n-1) • m: magnetic “ ( -l … 0 … +l ) • Electrons can live only in these “orbitals” (spaces) defined by 3 quantum numbers • Up to 2 electrons can exist in one orbital
  • 18. “Observation” of quantum numbers in line spectra
  • 19. • Main spectral lines = n • Fine structure = l • With magnetic field: Zeeman effect magnetic quantum no. m
  • 20. Questions • How many orbitals are possible for the energy level n = 2 and how many electrons can live there maximum ? • n = 2  l = 0 and 1 (“s” and “p” level)  m = 0 and -1, 0, +1 (px, y and z)
  • 23. The order of energy changes at Ca – Sc !