Born-Oppemheimer

Approximation
 Table of contents
Introduction Types of reactions
01 You can describe the topic of 04 You can describe the topic of
the section here the section here

Basic concepts Applications

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Balancing Conclusion
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 01
Introduction
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 Exploring the chemical reactions

Mercury is the closest planet to the Sun Mercury takes a little more than 58 days
and the smallest one in the entire Solar to complete its rotation, so try to imagine
System. Contrary to popular belief, this how long days must be there! Since the
planet's name has nothing to do with the temperatures are so extreme, albeit not as
liquid metal. Mercury was, instead, named extreme as on Venus, Mercury has been
after the famous Roman messenger god deemed to be non-habitable for humans
Mercurius
Balance in chemistry
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 Periodic table
1 2
H He
1.00784
Solid Gas 4.002602

3 4 5 6 7 8 9 10
Li Be B C N O F Ne
6.941 9.012182
Liquid Synthetic 10.811 12.011 14.0067 15.999 18.998403 20.1797

11 12 13 14 15 16 17 18
Na Mg Al Si P S Cl Ar
22.989 24.305 26.981539 28.0855 30.973762 32.065 35.453 39.948

19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36
K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr
39.0983 40.078 44.955912 47.867 50.942 51.996 54.938 55.845 58.933 58.693 63.546 65.38 69.723 72.64 74.9216 78.96 79.904 83.798

37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54
Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe
85.4678 87.62 88.90585 91.224 92.906 95.95 97.907 101.07 102.906 106.42 107.868 112.414 114.818 118.74 121.76 127.6 126.90447 131.293

55 56 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86
Cs Ba Lu Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn
132.90545 137.327 174.967 178.49 18.94788 183.84 186.207 190.23 192.217 195.084 196.96657 200.59 204.3833 207.20 208.9804 209 210 222

87 88 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118
Fr Ra Lr Rf Db Sg Bh Hs Mt Ds Rg Cn Nh Fl Mc Lv Ts Og
223 226 262 261 262.114 266.122 264.1247 269.134 268.139 272.146 272.174 277 286 289 289 293 294 294

57 58 59 60 61 62 63 64 65 66 67 68 69 70
La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb
138.906 140.114 140.908 144.24 144.913 150.36 151.966 157.25 158.925 162.50 164.930 167.26 168.934 173.04

89 90 91 92 93 94 95 96 97 98 99 100 101 102

Ac Th Pa U Np Pu Am Cm Bk Cf Es Fm Md No
227.028 232.038 231.036 238.029 237.048 244.064 243.061 247.070 247.070 251.080 254 257.095 258.1 259.101
 Basic
02 concepts
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 Fundamentals of stoichiometry

Molar mass Moles ratio

Mercury is the closest planet to Venus has a beautiful name and is
the Sun and the smallest one in the second planet from the Sun.
the Solar System—it’s only a bit It’s hot and has a poisonous
larger than the Moon atmosphere
 Moles ratio exercise
Convert grams to moles and vice versa

M(H2O)= 18gr/mol ; M(CO2)= 44gr/mol ; M (NH3) = 17gr/mol

40 gr H2O

36 gr C02
120 gr NH3

2 moles H2O

3 moles de CO2

5 moles de NH3
 Key concepts in chemical reactions

Reactants and Stoichiometric Reaction

products coefficients Mechanisms
Mercury is the closest Venus has a beautiful name Despite being red, Mars is
planet to the Sun and the and is the second planet actually a cold place. It’s
smallest of them all from the Sun full of iron oxide dust
 Unraveling the reactions

Limiting reactants Catalysts

Despite being red, Mars is actually a Earth is the only planet known to
cold place harbor life

Chemical kinetics Balancing

Venus has a beautiful name, but also Saturn is a gas giant and has several
high temperatures rings
 Balancing equations
Balance the following chemical equations and write their solution below

C4H10 + O2 -> CO2 + H2O Al + HCl -> AlCl3 + H2 C6H12O6 + O2 -> CO2 + H2O

________________________ ________________________
_______________________
_ _

K4Fe(CN)6 + H2SO4 -> K2SO4 + FeSO4 + (NH4)2SO4 + CO C12H22O11 + O2 -> CO2 + H2O

_______________________________________________ ________________________
_____ __
 Reviewing concepts is a good idea

Synthesis Decomposition
Mars is actually a very cold place Earth is the planet with life

Single-replacement Combustion
Mercury is a small planet Mars is made of basalt

Double-replacement Acid-base
Venus is a hot planet Jupiter is a gas giant
 What reaction is this?
Identify the type of reaction of each statement and match it correctly

Solid iron combines with gaseous oxygen to form iron

Synthesis
oxide

Solid zinc reacts with hydrochloric acid to produce zinc

Combustion
chloride and release gaseous hydrogen

Liquid ethanol burns in the presence of oxygen to

Decomposition
produce carbon dioxide and water

Liquid water decomposes into gaseous hydrogen and

Single replacement
oxygen through electrolysis
Awesome
words
 Stoichiometry problem
Given the following chemical equation. If 24 grams of glucose are burned in a complete reaction, how
many grams of carbon dioxide (CO2) and water (H2O) will be produced?

C6H12O6 + 6O2 → 6CO2 + 6H2O

01 02 03
Calculate the molar mass of glucose Obtain the stoichiometric ratio using Apply the stoichiometric relationship
(C6H12O6) the chem. equation to calculate mass

_________________________ _________________________ _________________________

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make the reader get inspired”

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 98,300,000
Big numbers catch your audience’s attention
9h 55m 23s
Jupiter’s rotation period

333,000
The Sun’s mass compared to Earth’s

386,000 km
Distance between Earth and the Moon
 Composition of atmospheric air
78% 21% 1%

Nitrogen Oxygen Other gases

Mercury is the closest Venus has a beautiful name Despite being red, Mars is
planet to the Sun and the and is the second planet actually a cold place. It’s
smallest of them all from the Sun full of iron oxide dust
 Born-Oppenheimer
Approximation
&
Computational Chemistry
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 Yield exercise
A reaction was carried out in which 5 grams of hydrogen (H2) were mixed with oxygen (O2) to form
water (H2O) according to the following equation:

2 H2 + O2 -> 2 H2O

The molecular weight of hydrogen (H2) is 2 g/mol and the molecular weight of oxygen (O 2) is 32 g/mol.
After the reaction, 9 grams of water were obtained. Calculate the actual yield and theoretical yield of
water formation

Actual yield Theoretical yield

 Important places for chemistry

CERN
Venus is the second planet
from the Sun

ESRF
Mercury is the closest
planet to the Sun

RSC
Despite being red, Mars is
a very cold place
 How is a chemical reaction made?

Initial Start of the Product Chemical End of

reactants reaction formation equilibrium reaction

Venus is the Mercury is the Despite being red, Jupiter is the Neptune is the
second planet from closest planet to Mars is a very cold biggest planet of farthest planet
the Sun the Sun place them all from the Sun
 Types of stoichiometric calculations

Moles of Moles of
reactant product

Reactant Moles of Moles of

mass reactant product

Reactant Moles of Moles of

mass reactant product Product mass
 Women in chemistry over the years

10% 40% 60% 80%

Mars is actually a Venus is a very Mercury is a Neptune is far
very cold place hot planet small planet away from us
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 Answer correctly
Read each sentence and fill in the correct box

True False
Chemical reactions always involve the creation of new atoms

A balanced chemical equation has an equal number of atoms of each element

on both sides

A catalyst is consumed during a chemical reaction

The concept of stoichiometry is not applicable to solutions

The limiting reactant is the reactant that is completely consumed in a

chemical reaction
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