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Unit IV: Quantum Mechanics and Bonding

The Development of a New Atomic Model

 Before 1900, scientists thought that light behaved only as wave
 discovered that also has particle-like characteristics

Light as a Wave
 electromagnetic radiation:
form of energy that acts as a wave as it travels

includes: visible light, X rays, ultraviolet and infrared light, microwaves, and radio

 All forms are combined to form electromagnetic spectrum

Light as a Wave
 all form of EM radiation travel at a speed of 3.0 x 108 m/s in a vacuum
 it has a repetitive motion
 wavelength: (λ(λ) distance between points on adjacent waves; in nm (109nm = 1m)
 frequency: (ν
(ν) number of waves that passes a point in a second, in waves/second
 Inversely proportional!

Photoelectric Effect
 when light is shone on a piece of metal, electrons can be emitted
 no electrons were emitted if the light’s frequency was below a certain value
 scientists could not explain this with their classical theories of light
 Ex: coin-operated sift drink machine
 Max Planck: a German physicist
 suggested that an object emits energy in the form of small packets of energy called
 quantum- the minimum amount of energy that can be gained or lost by an atom
 Planck’s constant (h): 6.626 x 10-34 J*s

 Einstein added on to Planck’s theory in 1905

 suggested that light can be viewed as stream of particles
 photon- particle of EM radiation having no mass and carrying one quantum of energy
 energy of photon depends on frequency

 EM radiation can only be absorbed by matter in whole numbers of photons

 when metal is hit by light, an electron must absorb a certain minimum amount of
energy to knock the electron loose
 this minimum energy is created by a minimum frequency
 since electrons in different metal atoms are bound more or less tightly, then they
require more or less energy
Hydrogen Line-Emission Spectrum
 ground state- lowest energy state of an atom
 excited state- when an atom has higher potential energy than it has at ground state
 line-emission spectrum- series of wavelengths of light created when visible portion
of light from excited atoms is shined through a prism
 scientists using classical theory expected atoms to be excited by whatever energy
they absorbed
 continuous spectrum- emission of continuous range of frequencies of EM
 Why had hydrogen atoms only given off specific frequencies of light?
Quantum Theory attempts to explain this using a new theory of atom

 when an excited atom falls back to ground state, it emits photon of radiation
 the photon is equal to the difference in energy of the original and final states of atom
 since only certain frequencies are emitted, the differences between the states must
be constant

Bohr Model
 created by Niels Bohr (Danish physicist) in 1913
 linked atom’s electron with emission spectrum
 electron can circle nucleus in certain paths, in which it has a certain amount of energy
 Can gain energy by moving to a higher rung on ladder
 Can lose energy by moving to lower rung on ladder
 Cannot gain or lose while on same rung of ladder
 a photon is released that has an energy equal to the difference between the initial
and final energy orbits
 problems:
did not work for other atoms
did not explain chemical behavior of atoms

Introduction to Quantum Theory

 Quantum Theory- describes mathematically the wave properties of electrons

Electrons as Waves
 In 1924, Louis de Broglie (French scientist)
 suggested the way quantized electrons orbit the nucleus is similar to behavior of
 electrons can be seen as waves confined to the space around a nucleus
 waves could only be certain frequencies since electrons can only have certain
amounts of energy

Uncertainty Principle
 In 1927 by Werner Heisenberg (German theoretical physicist)
 electrons can only be detected by their interaction with photons
 any attempt to locate a specific electron with a photon knocks the electron off course
 Heisenberg Uncertainty Principle- it is impossible to know both the position and
velocity of an electron
Schrödinger Wave Equation
 In 1926, Erwin Schrödinger (Austrian physicist)
 his equation proved that electron energies are quantized
 only waves of specific energies provided solutions to his equation
 solutions to his equation are called wave functions
 wave functions give only the probability of finding an electron in a certain location
 orbital- 3D area around a nucleus that has a high probability of containing an electron
 orbitals have different shapes and sizes

Quantum Numbers
 specify the properties of atomic orbitals and of electrons in orbitals
 the first three numbers come from the Schrödinger equation and describe:
main energy level



 4th describes state of electron

Principal Quantum Number: n

 main energy level occupied by electron
 values are all positive integers (1,2,3,…)
 As n increases, the electron’s energy and its average distance from the nucleus
 multiple electrons are in each level so have the same n value
 the total number of orbitals in a level is equal to n2
2nd Quantum Number
Angular Momentum Quantum Number: l
 indicates the shape of the orbital (sublevel)
 for a certain energy level, the number of possible shapes is equal to n
 the possible values of l are zero and all positive integers less than or equal to n-1
 each atomic orbital is designated by the principal quantum number followed by the
letter of the sublevel

s orbitals:
o spherical
o l value of zero
p orbitals:
o dumbbell-shaped
o l value of 1
d orbitals:
o various shapes
o l value of 2
f orbitals:
o various shapes
o l value of 3
Magnetic Quantum Number: ml
 indicates the orientation of an orbital around the nucleus
 has values from -l
-l to +l
 specifies the exact orbital that the electron is contained in
 each orbital holds maximum of 2 electrons

Spin Quantum Number: ms

 indicates the spin state of the electron
 only 2 possible directions
 only 2 possible values: -½ and +½
 paired electrons must have opposite spins

n l ml ms

1 0 0 -½,+½

n l ml ms

2 0 0 -½,+½

1 -1 -½,+½

0 -½,+½

+1 -½,+½

n l ml ms

3 0 0 -½,+½

1 -1 -½,+½

0 -½,+½

+1 -½,+½

2 -2 -½,+½

-1 -½,+½

0 -½,+½

+1 -½,+½

+2 -½,+½

Energy Level 4
n l ml ms l ml ms

4 0 0 -½,+½ -3 -½,+½
1 -1 -½,+½ -2 -½,+½
0 -½,+½ -1 -½,+½
+1 -½,+½ 0 -½,+½
2 -2 -½,+½ +1 -½,+½
-1 -½,+½ +2 -½,+½
0 -½,+½ +3 -½,+½

+1 -½,+½

+2 -½,+½
Electron Configurations
 the arrangement of electrons in an atom
 each type of atom has a unique electron configuration
 electrons tend to assume positions that create the lowest possible energy for atom
 ground state electron configuration- lowest energy arrangement of electrons

Rules for Arrangements

 Aufbau Principle- an electron occupies the lowest-energy orbital that can receive it

 Beginning in the 3rd energy level, the energies of the sublevels in different
energy levels begin to overlap

 Pauli Exclusion Principle- no two electrons in the same atom can have the same set of
4 quantum numbers
 Hund’s Rule- orbitals of equal energy are each occupied by one electron before any
orbital is occupied by a second
 all unpaired electrons must have the same spin

Rules for Arrangements Writing Configurations

 Orbital Notation:
an orbital is written as a line

each orbital has a name written below it

electrons are drawn as arrows (up and down)

 Electron Configuration Notation

number of electrons in sublevel is added as a superscript

Order for Filling Sublevels Writing Configurations

 Start by finding the number of electrons in the atom
 Identify the sublevel that the last electron added is in by looking at the location in
periodic table
 Draw out lines for each orbital beginning with 1s and ending with the sublevel
 Add arrows individually to the orbitals until all electrons have been drawn

 number of electrons: 14
 1s2 2s2 2p6 3s2 3p2

 number of electrons: 17
 1s2 2s2 2p6 3s2 3p5

 number of electrons: 11
 1s2 2s2 2p6 3s1

 number of electrons: 20
 1s2 2s2 2p6 3s2 3p6 4s2

 number of electrons: 35
 1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p5

 number of electrons: 18
 1s2 2s2 2p6 3s2 3p6

Noble Gas Notation

 short hand for larger atoms
 configuration for the last noble gas is abbreviated by the noble gas’s symbol in
 Example: Zinc [Ar] 3d10 4s2


 EXPECT: [Ar] 4s2 3d9
 ACTUALLY: [Ar] 4s1 3d10
 Copper gains stability with a full

 EXPECT: [Ar] 4s2 3d4
 ACTUALLY: [Ar] 4s1 3d5
 Chromium gains stability with a half-full d-sublevel.
Introduction to Chemical Bonding
Chemical Bonds
 atoms rarely exist alone
 when atoms are bonded together, they have less potential energy and are more
 What is potential energy?
 chemical bond – mutual electrical attraction between the nuclei and valence electrons
of different atoms that binds the atoms together
Ionic Bonds
 results from electrical attraction between large numbers of cations and anions
 atoms donate or accept electrons from each other

Covalent Bonds
 results from sharing of electron pairs between two atoms
 the electrons shared belong to both atoms
 Polar Covalent
 when electrons are shared unevenly

 Nonpolar Covalent
 when electrons are shared evenly

Ionic vs. Covalent

bonding usually does not fall in one category or the other, but somewhere in between
type of bond depends on the elements differences in electronegativities

 Polar- uneven distribution of charge
 Show partial charges on structure by using δ (lowercase delta)
 Determine whether each of the following bonds will be:
ionic, polar covalent, OR nonpolar covalent
 S and H
polar covalent
 S and Cs
 C and Cl
polar covalent
 Cl and Ca
 Cl and O
polar covalent
 Cl and Br
nonpolar covalent
 What kind of patterns do you see?
 metals + nonmetals = ionic
 nonmetals + nonmetals = covalent
Covalent Bonding

Molecular Compounds
molecule: neutral group of atoms held together by covalent bonds
molecular compound: compound whose simplest unit is a molecule

chemical formula: tells the number of each type of atom in a compound
molecular formula: tells the number of each type of atom in a molecular compound
ex. H2O, Cl2, C6H12O2
diatomic molecule: a molecules containing only 2 atoms
usually refers to 2 of the same atoms
ex: O2, Br2, F2, etc.
Formation of Covalent Bond
approaching nuclei and electron clouds are attracted to each other to create a decrease
in potential energy (PE)
two nuclei and two electron clouds repel each other creating an increase in PE
a distance between the nuclei is reached in which
repulsion and attraction forces are equal

potential energy is at the lowest point possible

at the bottom of the curve on PE graph

Covalent Bonds
Bond Length
distance between two bonded atoms at their lowest PE

average distance since there are some vibrations

measured in pm (10 pm = 1 m)

stronger the bond, shorter the bond

Bond Energy
 energy is released when atoms become because they have lower PE
 the same amount of energy must be used to break the bond and form neutral
isolated atoms
stronger bond, higher bond energy

average since varies a small amount based on atoms in entire molecule

in kJ/mol

Octet Rule
representative elements can “fill” their outer energy level by sharing electrons in
covalent bonds

Octet Rule- a compound tends to form so that each atom has an octet (8) of electrons
in its highest energy level by gaining, losing or sharing electrons
Duet Rule- applies to H and He

Exceptions to the Octet Rule

Less than 8:
Boron: 6 in outer energy level
More than 8:
anything in 3rd period or heavier
because may use the empty d orbital

ex: S, P, I

Types of Bonds
single- sharing of one pair of electrons
weakest, longest

double- sharing of 2 pairs of electrons

stronger and shorter

triple- sharing of 3 pairs of electrons

strongest and shortest

multiple bonds include double and triple bonds

Lewis Structures
atomic symbols represent nucleus and core electrons and dots or dashes represent
valence electrons
unshared electrons: (lone pairs) pair of electrons not involved in bonding written

around only one symbol

bonding electrons: written in between 2 atoms as a dash

Drawing Lewis Structures

find the number of valence electrons in each atom and add them up
draw the atoms next to each other in the way they will bond
Least electronegative element in the center
add one bonding pair between each connected atoms
add the rest of the electrons until all have 8 (consider exceptions to octet rule)

Cl: methyl chloride
• C: 4 x 1 = 4
• H: 1 x 3 = 3
• Cl: 7 x 1 = 7
• total = 14 electrons
• carbon is central

 NH3: ammonia
• N: 5 x 1 = 5
• H: 1 x 3 = 3
• total = 8
• N is central

 N2 :nitrogen gas
• N: 5 x 2 = 10
• 10 electrons

 CH2O: formaldehyde
• C: 4 x 1 = 4
• H: 1 x 2 = 2
• O: 1 x 6 = 6
• total = 12
• C is central

Polyatomic Ions
• charged group of covalently bonded atoms
Example: CN-:Cyanide, NH4+ : ammonium ion, SO42- : sulfate ion
Resonance Structures
• resonance – bonding between atoms that cannot be represented in on Lewis
• show all possible structures with double-ended arrow in between to show that
electrons are delocalized
O3: ozone
O: 6 x 3 = 18
two completely equal arrangements
the real structure is an average of these two

Ionic Compounds
ionic bonds do NOT form molecules
chemical formulas for ionic compounds represent the simplest ratio of ion types
made of anions and cations
combined so that amount of positive and negative charge is equal
usually crystalline solid
formula of ionic compound depends of the charges of the ions combined

attractive forces:
oppositely charged ions
nuclei and electron clouds of adjacent ions

repulsive forces:
like-charged ions
electrons of adjacent ions

distance between the ions creates a balance between those forces

ions minimize their PE by combining in an orderly arrangement called a crystal lattice

specific lattice pattern created depends on:

charges of ions
size of ions

Lattice Energy
energy released when separate gaseous ion bond to form ionic solid
the larger the amount of energy released, the stronger the bond
since it is released, the value is negative

Ionic vs. Molecular

ionic bonds and molecular bonds are both strong
ionic bonds connect all ions together

molecules are more easily pulled apart because intermolecular forces are weak

Molecular Compounds:
low melting and boiling points
many are gases at room temperature
• Because the intermolecular forces of the molecules are weak so they are
easily separated

Ionic Compounds:
higher melting and boiling points
all are solid at room temperature

hard: Because of the strong forces, it is difficult for one layer of ions to move past

brittle: if one layer is moved, the layers come apart completely

good conductors in liquid state

Because ions are free to move and carry charge

poor conductor in solid state

Because ions are fixed in place

VSEPR Theory and Molecular Shapes

V alence
S hell
E lectron
P air
R epulsion
repulsion between pairs of electrons around an atom cause them to be as far apart as

used to predict the geometry of molecules

Molecular Shapes
diatomic molecules will always be linear
all other molecules can have different shapes based on the number of charge clouds
around the central atom
charge clouds include:
bonding pairs

lone pairs