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Electron Orbitals




                    Cartoon courtesy of lab-initio.com
The Bohr Model of the Atom

             I pictured electrons
             orbiting the nucleus much
             like planets orbiting the
             sun.
             But I was wrong! They’re
             more like bees around a
             hive.
Neils Bohr
DeBroglie Model

- Since light waves can
have a particle behavior
(as shown by Einstein),
then it follows that
particles could exhibit a
wave behavior.

- Saw the electron as a
wave.
Schrodinger and His Cat
•First to propose the idea of electron duality.
•Proposed classic thought experiment involving a
cat in a box.
•The electron is simultaneously a particle and a
wave but cannot be observed in this state.
   -When you observe it the electron adopts one
   state or the other.
Heisenberg Uncertainty Principle
             “One cannot simultaneously
             determine both the position
             and momentum of an electron.”



                You can find out where the
                electron is, but not where it
                is going.
                         OR…
                You can find out where the
 Werner         electron is going, but not
Heisenberg      where it is!
Quantum Mechanical
       Model of the Atom

Mathematical laws can identify the
regions outside of the nucleus
where electrons are most likely to
be found.

These laws are beyond the scope of
this class…
Quantum Mechanical
Model of the Atom
Quantum Mechanical
         Model of the Atom
•As in the the deBroglie and Bohr Models the
electrons energy is quantized into distinct
levels.
   •As the atom is excited electrons move into
   higher levels (further from nucleus) and vice
   versa.
•The Quantum Mechanical model, however,
makes no attempt to predict the path of the
electron (Heisenburg).
   •It does define the electrons most probable
   location based on a set of rules.
Levels of Organization
  •The Quantum Mechanical
  model still relies on the idea
  of quantized energy levels
  HOWEVER each energy level
  is further subdivided into
  probability zones.
      oCalled Orbitals
      oThe larger the energy
      level the more probability
      zones it can contain.
         You add a new set of
        orbitals with each
        successive energy
        level.
Four Quantum Numbers
•   The Quantum Mechanical Model describes the
    location of each electron based upon successive
    levels of organization called Quantum Numbers.
         1. Principal Quantum Number
         2. Orbital Quantum Number
         3. Magnetic Quantum Number
         4. Spin Quantum Number
•   Each electron within the atom is assigned a
    unique combination of quantum numbers based
    upon the location of it’s electrons
  –    The 4 quantum numbers provide the specific
       location of each electron. Similar to an
       address.
Electron Energy Levels (Shell)
•First level of organization.
    •Similar to Bohr Model.
•The shell denotes the probable
distance of the electron from the
nucleus.
•Principle Quantum Number (N):
   •Indicates the relative size and
   energy of a shell.
       •Denoted as “N”
       •As N increases the energy
       level becomes larger and the
       electron spends more time
       farther from the nucleus.
•Not evenly spaced.
# of Electrons in Energy Levels
The larger the shell the
more electrons it can hold.      Maximum # of
                               electrons per shell
As “N” increases so does the     1st shell:   2
maximum number of electrons
                                 2nd shell:   8
that can be in the shell.
                               3rd shell:     18
   Number of electrons         4th shell:     32
   that can fit in a
                               5th shell:     50
   shell:
            2n 2
Orbital Sub-Levels
                                            PRINCIPAL   SUB LEVELS
                                             ENERGY
                                             LEVELS

                                            4                        •Each main energy level (shell)
INCREASING ENERGY / DISTANCE FROM NUCLEUS




                                                                     can be subdivided into sublevels.
                                                                        •Level 1 was split into 1 sub level
                                            3                           •Level 2 was split into 2 sub levels
                                                                        •Level 3 was split into 3 sub levels
                                                                        •Level 4 was split into 4 sub levels

                                            2                        •These sublevels are known as
                                                                     orbitals.

                                            1
Orbital Quantum Number,               ℓ
   (Angular Momentum Quantum Number)


Indicates shape of orbital sublevels
             ℓ = n-1
           ℓ   sublevel
           0         s
           1         p
           2         d
           3         f
           4         g
Orbital Shape
Scientists calculate the shape of orbitals
based upon probability.




Orbital Shapes are defined as the surface
that contains 90% of the total electron
probability.
ℓ = 0 or S Orbital shape



•Each energy level
contains one
spherical S-Orbital

•Holds 2 Electrons
ℓ = 1 or P Orbitals shape

•There are 3 dumbbell-
shaped p orbitals
beginning in n = 2

•Each assigned to its
own axis (x, y and z) in
space.

•Each P orbital contains
two electrons.
    2 x 3 = 6 Total
ℓ = 2 or D Orbitals shape
             Things get a bit more
             complicated with the
             five d orbitals beginning
             in n = 3.

              5 x 2 = 10 Electrons Total

             To remember the shapes,
             think of “double
             dumbells”

             …and a “dumbell
             with a donut”!
ℓ = 3 or f Orbitals shape
Beginning in N=4 there are 7 f-orbitals.
     7 x 2 = 14 Electrons Total
Energy Levels, Orbitals, Electrons
Energy   Orbital type   Number of   Number of    Number of
 Level      in the       orbitals   Electrons   electrons per
  (n )   energy level                           Energy level
         (types = n)                                  (2n2)
  1           s            1           2             2
  2           s            1           2             8
              p            3           6
  3           s            1           2             18
              p            3           6
              d            5           10
  4           s            1           2             32
              p            3           6
              d            5           10
              f            7           14
Magnetic Quantum Number, ml
Indicates the orientation of the
 orbital in space.
Values of ml : integers -ℓ to +ℓ
The number of values represents the
 number of orbitals.
Example:
     for ℓ= 2, ml = -2, -1, 0, +1, +2

  Which sublevel does this represent?
     Answer: d
Electron Spin (ms or s)
Electron spin describes the behavior
(direction of spin: clockwise or
counterclockwise) of an electron
within a magnetic field.
Establishes a limit of 2 electrons per orbital

Possibilities for electron spin:

     1           1
                           OR
     2           2
Quantum Mechanical Model Summary

 Electrons are located in specific
 energy levels.

 There is no exact path around the
 nucleus.

 The model estimates the probability
 of finding an electron in a certain
 position.
QUANTUM
                     NUMBERS

n ---> energy level or shell   1, 2, 3, 4, ...

ℓ ---> subshell or orbitals    0, 1, 2, ... n – 1

ml ---> magnetic orientation   -ℓ ... 0 ... +ℓ

ms ---> electron spin          +1/2 and -1/2
Electron Configurations




             __
Rules for Filling The Diagram
•   Aufbau Principle: Electrons will fill the
    lowest energy levels subshell first before
    moving to the next higher level.
     – The Concert Rule
•   Hund's Rule: The most stable arrangement
    of electrons is that with the maximum
    number of unpaired electrons, all with the
    same spin direction. (Electrons won’t double
    up if they don’t have to, as long as they
    don’t violate the Aufbau Principle)
     – The Urinal Etiquette Rule
•   Pauli Exclusion Principle: No two electrons
    in an atom can have the same set of four
    quantum numbers. (Only 2 electrons can be
    in an orbital and they must have opposite
    spins)
     – Two is Company, but Three is a Crowd
       Rule
Element    Configuration          Orbital notation               Noble gas
              notation                                             notation

Lithium     1s22s1                                             [He]2s1
                            ____   ____   ____   ____   ____
                             1s     2s            2p
Beryllium   1s22s2                                             [He]2s2
                            ____   ____   ____   ____   ____
                             1s     2s            2p
Boron       1s22s22p1                                          [He]2s2p1
                            ____   ____   ____   ____   ____
                             1s     2s            2p
Carbon      1s22s22p2                                          [He]2s2p2
                            ____   ____   ____   ____   ____
                             1s     2s            2p
Nitrogen    1s22s22p3                                          [He]2s2p3
                            ____   ____   ____   ____   ____
                             1s     2s            2p
Oxygen      1s22s22p4                                          [He]2s2p4
                            ____   ____   ____   ____   ____
                             1s     2s            2p
Fluorine    1s22s22p5                                          [He]2s2p5
                            ____   ____   ____   ____   ____
                             1s     2s            2p
Neon        1s22s22p6                                          [He]2s2p6
                            ____   ____   ____   ____   ____
                             1s     2s            2p
Orbital filling table
Electron configuration of the
elements of the first three series

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QMM

  • 1. Electron Orbitals Cartoon courtesy of lab-initio.com
  • 2. The Bohr Model of the Atom I pictured electrons orbiting the nucleus much like planets orbiting the sun. But I was wrong! They’re more like bees around a hive. Neils Bohr
  • 3. DeBroglie Model - Since light waves can have a particle behavior (as shown by Einstein), then it follows that particles could exhibit a wave behavior. - Saw the electron as a wave.
  • 4. Schrodinger and His Cat •First to propose the idea of electron duality. •Proposed classic thought experiment involving a cat in a box. •The electron is simultaneously a particle and a wave but cannot be observed in this state. -When you observe it the electron adopts one state or the other.
  • 5.
  • 6.
  • 7.
  • 8.
  • 9.
  • 10.
  • 11. Heisenberg Uncertainty Principle “One cannot simultaneously determine both the position and momentum of an electron.” You can find out where the electron is, but not where it is going. OR… You can find out where the Werner electron is going, but not Heisenberg where it is!
  • 12. Quantum Mechanical Model of the Atom Mathematical laws can identify the regions outside of the nucleus where electrons are most likely to be found. These laws are beyond the scope of this class…
  • 14. Quantum Mechanical Model of the Atom •As in the the deBroglie and Bohr Models the electrons energy is quantized into distinct levels. •As the atom is excited electrons move into higher levels (further from nucleus) and vice versa. •The Quantum Mechanical model, however, makes no attempt to predict the path of the electron (Heisenburg). •It does define the electrons most probable location based on a set of rules.
  • 15. Levels of Organization •The Quantum Mechanical model still relies on the idea of quantized energy levels HOWEVER each energy level is further subdivided into probability zones. oCalled Orbitals oThe larger the energy level the more probability zones it can contain. You add a new set of orbitals with each successive energy level.
  • 16. Four Quantum Numbers • The Quantum Mechanical Model describes the location of each electron based upon successive levels of organization called Quantum Numbers. 1. Principal Quantum Number 2. Orbital Quantum Number 3. Magnetic Quantum Number 4. Spin Quantum Number • Each electron within the atom is assigned a unique combination of quantum numbers based upon the location of it’s electrons – The 4 quantum numbers provide the specific location of each electron. Similar to an address.
  • 17.
  • 18. Electron Energy Levels (Shell) •First level of organization. •Similar to Bohr Model. •The shell denotes the probable distance of the electron from the nucleus. •Principle Quantum Number (N): •Indicates the relative size and energy of a shell. •Denoted as “N” •As N increases the energy level becomes larger and the electron spends more time farther from the nucleus. •Not evenly spaced.
  • 19. # of Electrons in Energy Levels The larger the shell the more electrons it can hold. Maximum # of electrons per shell As “N” increases so does the 1st shell: 2 maximum number of electrons 2nd shell: 8 that can be in the shell. 3rd shell: 18 Number of electrons 4th shell: 32 that can fit in a 5th shell: 50 shell: 2n 2
  • 20.
  • 21. Orbital Sub-Levels PRINCIPAL SUB LEVELS ENERGY LEVELS 4 •Each main energy level (shell) INCREASING ENERGY / DISTANCE FROM NUCLEUS can be subdivided into sublevels. •Level 1 was split into 1 sub level 3 •Level 2 was split into 2 sub levels •Level 3 was split into 3 sub levels •Level 4 was split into 4 sub levels 2 •These sublevels are known as orbitals. 1
  • 22. Orbital Quantum Number, ℓ (Angular Momentum Quantum Number) Indicates shape of orbital sublevels ℓ = n-1 ℓ sublevel 0 s 1 p 2 d 3 f 4 g
  • 23. Orbital Shape Scientists calculate the shape of orbitals based upon probability. Orbital Shapes are defined as the surface that contains 90% of the total electron probability.
  • 24. ℓ = 0 or S Orbital shape •Each energy level contains one spherical S-Orbital •Holds 2 Electrons
  • 25. ℓ = 1 or P Orbitals shape •There are 3 dumbbell- shaped p orbitals beginning in n = 2 •Each assigned to its own axis (x, y and z) in space. •Each P orbital contains two electrons. 2 x 3 = 6 Total
  • 26. ℓ = 2 or D Orbitals shape Things get a bit more complicated with the five d orbitals beginning in n = 3. 5 x 2 = 10 Electrons Total To remember the shapes, think of “double dumbells” …and a “dumbell with a donut”!
  • 27. ℓ = 3 or f Orbitals shape Beginning in N=4 there are 7 f-orbitals. 7 x 2 = 14 Electrons Total
  • 28. Energy Levels, Orbitals, Electrons Energy Orbital type Number of Number of Number of Level in the orbitals Electrons electrons per (n ) energy level Energy level (types = n) (2n2) 1 s 1 2 2 2 s 1 2 8 p 3 6 3 s 1 2 18 p 3 6 d 5 10 4 s 1 2 32 p 3 6 d 5 10 f 7 14
  • 29.
  • 30.
  • 31. Magnetic Quantum Number, ml Indicates the orientation of the orbital in space. Values of ml : integers -ℓ to +ℓ The number of values represents the number of orbitals. Example: for ℓ= 2, ml = -2, -1, 0, +1, +2 Which sublevel does this represent? Answer: d
  • 32.
  • 33. Electron Spin (ms or s) Electron spin describes the behavior (direction of spin: clockwise or counterclockwise) of an electron within a magnetic field. Establishes a limit of 2 electrons per orbital Possibilities for electron spin: 1 1 OR 2 2
  • 34. Quantum Mechanical Model Summary Electrons are located in specific energy levels. There is no exact path around the nucleus. The model estimates the probability of finding an electron in a certain position.
  • 35. QUANTUM NUMBERS n ---> energy level or shell 1, 2, 3, 4, ... ℓ ---> subshell or orbitals 0, 1, 2, ... n – 1 ml ---> magnetic orientation -ℓ ... 0 ... +ℓ ms ---> electron spin +1/2 and -1/2
  • 37. Rules for Filling The Diagram • Aufbau Principle: Electrons will fill the lowest energy levels subshell first before moving to the next higher level. – The Concert Rule • Hund's Rule: The most stable arrangement of electrons is that with the maximum number of unpaired electrons, all with the same spin direction. (Electrons won’t double up if they don’t have to, as long as they don’t violate the Aufbau Principle) – The Urinal Etiquette Rule • Pauli Exclusion Principle: No two electrons in an atom can have the same set of four quantum numbers. (Only 2 electrons can be in an orbital and they must have opposite spins) – Two is Company, but Three is a Crowd Rule
  • 38. Element Configuration Orbital notation Noble gas notation notation Lithium 1s22s1 [He]2s1 ____ ____ ____ ____ ____ 1s 2s 2p Beryllium 1s22s2 [He]2s2 ____ ____ ____ ____ ____ 1s 2s 2p Boron 1s22s22p1 [He]2s2p1 ____ ____ ____ ____ ____ 1s 2s 2p Carbon 1s22s22p2 [He]2s2p2 ____ ____ ____ ____ ____ 1s 2s 2p Nitrogen 1s22s22p3 [He]2s2p3 ____ ____ ____ ____ ____ 1s 2s 2p Oxygen 1s22s22p4 [He]2s2p4 ____ ____ ____ ____ ____ 1s 2s 2p Fluorine 1s22s22p5 [He]2s2p5 ____ ____ ____ ____ ____ 1s 2s 2p Neon 1s22s22p6 [He]2s2p6 ____ ____ ____ ____ ____ 1s 2s 2p
  • 40. Electron configuration of the elements of the first three series