Unit IV: Quantum Mechanics and Bonding The Development of a New Atomic Model Light  Before 1900, scientists thought

that light behaved only as wave  discovered that also has particle-like characteristics
 electromagnetic radiation:
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Light as a Wave

form of energy that acts as a wave as it travels includes: visible light, X rays, ultraviolet and infrared light, microwaves, and radio waves  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) distance between points on adjacent waves; in nm (109nm = 1m) (λ frequency: (ν) number of waves that passes a point in a second, in waves/second (ν  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 quanta 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

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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

radiation  Why had hydrogen atoms only given off specific frequencies of light? Quantum Theory attempts to explain this using a new theory of atom
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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

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 Quantum Theory- describes mathematically the wave properties of electrons

 In 1924, Louis de Broglie (French scientist)  suggested the way quantized electrons orbit the nucleus is similar to behavior of

Electrons as Waves

wave  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

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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 shape orientation  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 increase  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 to +l -l +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 1

l 0

ml 0

ms -½,+½

n 2

l 0 1

ml 0 -1 0 +1

ms -½,+½ -½,+½ -½,+½ -½,+½

n 3

l 0 1

ml 0 -1 0 +1

ms -½,+½ -½,+½ -½,+½ -½,+½ -½,+½ -½,+½ -½,+½ -½,+½ -½,+½ Energy Level 4


-2 -1 0 +1 +2

n 4

l 0 1

ml 0 -1 0 +1

ms -½,+½ -½,+½ -½,+½ -½,+½ -½,+½ -½,+½ -½,+½ -½,+½ -½,+½ 3


ml -3 -2 -1 0 +1 +2 +3

ms -½,+½ -½,+½ -½,+½ -½,+½ -½,+½ -½,+½ -½,+½


-2 -1 0 +1 +2

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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
 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

Rules for Arrangements

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 identified

 Add arrows individually to the orbitals until all electrons have been drawn

 1s2 2s2 2p6 3s2 3p2

 number of electrons: 14


Chlorine  number of electrons: 17  1s2 2s2 2p6 3s2 3p5 Sodium  number of electrons: 11  1s2 2s2 2p6 3s1 Calcium  number of electrons: 20  1s2 2s2 2p6 3s2 3p6 4s2 Bromine

 1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p5

 number of electrons: 35

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

 short hand for larger atoms  configuration for the last noble gas is abbreviated by the noble gas’s symbol in

Noble Gas Notation

brackets  Example: Zinc [Ar] 3d10 4s2 Exceptions

Copper  EXPECT: [Ar] 4s2 3d9  ACTUALLY: [Ar] 4s1 3d10  Copper gains stability with a full d-sublevel. Chromium  EXPECT: [Ar] 4s2 3d4  ACTUALLY: [Ar] 4s1 3d5  Chromium gains stability with a half-full d-sublevel.

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Introduction to Chemical Bonding Chemical Bonds atoms rarely exist alone when atoms are bonded together, they have less potential energy and are more stable 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)


Practice  Determine whether each of the following bonds will be:

ionic, polar covalent, OR nonpolar covalent Practice S and H 2.5-2.1=0.4 polar covalent S and Cs 2.5-0.7=1.8 ionic C and Cl 3.0-2.5=0.5 polar covalent Cl and Ca 3.0-1.0=2.0 ionic Cl and O 3.5-3.0=0.5 polar covalent Cl and Br 3.0-2.8 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 Formulas 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 12 measured in pm (10 pm = 1 m) stronger the bond, shorter the bond

Bond Energy
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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
Less than 8:

Exceptions to the Octet Rule

More than 8:

Boron: 6 in outer energy level

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
atomic symbols represent nucleus and core electrons and dots or dashes represent

Lewis Structures

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)
CH3Cl: methyl chloride Cl:

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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 – bonding between atoms that cannot be represented in on Lewis structure • 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

Resonance Structures

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:
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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:
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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 another 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 possible

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