Chemical Formulas

Jöns Jakob Berzelius – a 19th-century Swedish chemist who invented this system for
writing formulas.

Definition:

Chemical formulas

An easy way of expressing information about the atoms that constitute a

particular chemical compound, and how the relationship between those atoms changes
in chemical reactions. For molecular compounds it is also known as the molecular
formula, and identifies each constituent element by its chemical symbol and indicates
the number of atoms of each element found in each discrete molecule of that compound.
If a molecule contains more than one atom of a particular element, this quantity is
indicated using a subscript after the chemical symbol. For ionic compounds and other
non-molecular substances, the subscripts indicate the ratio of elements in the empirical
formula.

Chemical formulas such as HClO4 can be divided into empirical formula,

molecular formula, and structural formula. Chemical symbols of elements in the
chemical formula represent the elements present, and subscript numbers represent mole
proportions of the proceeding elements. Note that no subscript number means a subscript
of 1.

1. Molecular formula

is a group of elemental symbols, and possibly subscript numbers, which represent

the composition of a molecule. The molecular formula shows you how many of each
atom can be found in a certain molecule.

Some examples of molecular formulas, that you are most likely familiar with, are shown
in table 5-5a.

Table 5-5a - Some Molecular Formulas and the Information they Convey
Formula Composition
H2O Total of 3 atoms in each molecule - 1 oxygen and 2 hydrogen
O2 Total of 2 atoms in each molecule - 2 oxygen atoms
CO2 Total of 3 atoms in each molecule - 1 carbon and 2 oxygen
Total of 24 atoms in each molecule - 6 carbon, 12 hydrogen, and 6
C6H12O6
oxygen.

2. Structural formula
 Reflects the bonding of atoms in a molecule or ion. Structural formulas show every
atom and every bond, as well as the unshared electron pairs found in a molecule. Atoms are
represented by their atomic symbol. Bonds are represented by solid black lines. A single black
line or dash represents 2 shared electrons in a single covalent bond. Two black lines represent 4
shared electrons in a double covalent bond. Three black lines represent 6 shared electrons in a
triple covalent bond. An unshared electron pair is represented by two dots paired together
adjacent to the atomic symbol.

In the following examples, including structural formulas of water (H2O), ammonia (NH3), and
sulfuric acid (H2SO4), unshared electron pairs are represented by red dots.

Examples

Structural formula of Water - H2O Structural formula of Ammonia - NH3

Structural formula of Sulfuric Acid - H2SO4

3.Empirical Formula
A formula that gives the simplest whole-number ratio of atoms in a compound.

A simple expression of the relative number of each type of atom in it. An

empirical formula makes no reference to isomerism, structure, or absolute number of
atoms. Empirical formulae are the standard for most ionic compounds, such as CaCl2, and
for macromolecules, such as SiO2. The term empirical refers to the process of elemental
analysis, a technique of analytical chemistry used to determine the relative percent
composition of a pure chemical substance by element.

Steps for Determining an Empirical Formula

1. Start with the number of grams of each element, given in the problem.
o If percentages are given, assume that the total mass is 100 grams so
that the mass of each element = the percent given.
2. Convert the mass of each element to moles using the molar mass from the
periodic table.
3. Divide each mole value by the smallest number of moles calculated.
4. Round to the nearest whole number. This is the mole ratio of the elements and
is represented by subscripts in the empirical formula.
 5. Once the empirical formula is found, the molecular formula for a compound can be
determined if the molar mass of the compound is known. Simply calculate the mass
of the empirical formula and divide the molar mass of the compound by the mass of
the empirical formula to find the ratio between the molecular formula and the
empirical formula. Multiply all the atoms (subscripts) by this ratio to find the
molecular formula.

Example Problem:
A compound was analyzed and found to contain 13.5 g Ca, 10.8 g O, and 0.675 g
H. What is the empirical formula of the compound?

Given:

13.5 g Ca

10.8g O

0.675 g H

Convert the mass of each element to moles using the molar mass from the periodic table.

Divide each mole value by the smallest number of moles calculated. Round to the
nearest whole number.

This is the mole ratio of the elements and is represented by subscripts in the empirical
formula.
Chemical symbol

An abbreviation or short representation of the name of a chemical element,

generally assigned in relation to its Latin name. Natural elements all have symbols of one
or two letters; some man-made elements have temporary symbols of three letters.
Chemical symbols are listed in the periodic table and are used as shorthand and in
chemical equations, 2H2 + O2 → 2H2O. Because chemical symbols are often derived
from the Latin or Greek name of the element, they may not bear much similarity to the
common English name, e.g., Na for sodium (Latin natrium) and Au for gold (Latin
aurum). Chemical symbols may also be changed to show if one particular isotope
of an atom that is specified, as well as to show other attributes such as ionization and
oxidation state of a chemical compound.

Attached subscripts or superscripts specifying a nucleotide or molecule have the

following meanings and positions:

• The nucleon number (mass number) is shown in the left superscript position (e.g.,
14
N)
• The number of atoms of a nucleotide is shown in the right subscript position (e.g.,
N2)
• The proton number (atomic number) may be indicated in the left subscript
position (e.g., 64Gd)
• If necessary, a state of ionization or an excited state may be indicated in the right
superscript position (e.g., state of ionization Na+)

Examples of families

• Alkali Metals
• Alkaline Earth Metals
• Transition Metals
• Halogen Gases
• Inert Gases (Noble Gases)

Examples of physical properties

• Density
• Boiling Point 212 degrees F
• Melting Point
• Conductivity
• Heat Capacity

Examples of chemical properties:

• Valence
• Reactivity
• Radioactivity

Atomic M.P. B.P.

No. Name Sym.
Weight ( °C ) ( °C )
89 * 227 Actinium Ac 1050 3200
13 26.9815 Aluminum Al 660 2467
95 * 243 Americium Am 994 2607
51 121.76 Antimony Sb 630 1750
18 39.948 Argon Ar -189 -186
33 74.9216 Arsenic As 81 613
85 * 210 Astatine At 302 337
56 137.327 Barium Ba 725 1140
97 * 247 Berkelium Bk 986
4 9.0122 Beryllium Be 1278 2970
83 208.9804 Bismuth Bi 271 1560
107 * 264 Bohrium Bh
5 10.811 Boron B 2300 2550
35 79.904 Bromine Br -7 59
48 112.411 Cadmium Cd 321 765
20 40.078 Calcium Ca 839 1484
98 * 251 Californium Cf 900
6 12.0107 Carbon C 3500 4827
58 140.116 Cerium Ce 795 3257
55 132.9055 Cesium Cs 29 678
17 35.453 Chlorine Cl -101 -35
24 51.9961 Chromium Cr 1857 2672
27 58.9332 Cobalt Co 1495 2870
29 63.546 Copper Cu 1083 2567
96 * 247 Curium Cm 1340
105 * 262 Dubnium Db
66 162.5 Dysprosium Dy 1412 2562
99 * 252 Einsteinium Es 860
68 167.259 Erbium Er 1522 2510
63 151.964 Europium Eu 822 1597
100 * 257 Fermium Fm 1527
9 18.9984 Fluorine F -220 -188
87 * 223 Francium Fr 27 677
64 157.25 Gadolinium Gd 1311 3233
31 69.723 Gallium Ga 30 2403
32 72.64 Germanium Ge 937 2830
79 196.9665 Gold Au 1064 2807
72 178.49 Hafnium Hf 2150 5400
108 * 277 Hassium Hs
2 4.0026 Helium He -272 -269
67 164.9303 Holmium Ho 1470 2720
1 1.0079 Hydrogen H -259 -253
49 114.818 Indium In 157 2000
53 126.9045 Iodine I 114 184
77 192.217 Iridium Ir 2410 4527
26 55.845 Iron Fe 1535 2750
36 83.8 Krypton Kr -157 -153
57 138.9055 Lanthanum La 920 3469
103 * 262 Lawrencium Lr 1627
82 207.2 Lead Pb 327 1740
3 6.941 Lithium Li 180 1347
71 174.967 Lutetium Lu 1656 3315
12 24.305 Magnesium Mg 639 1090
25 54.938 Manganese Mn 1245 1962
109 * 268 Meitnerium Mt
101 * 258 Mendelevium Md
80 200.59 Mercury Hg -39 357
42 95.94 Molybdenum Mo 2617 4612
60 144.24 Neodymium Nd 1010 3127
10 20.1797 Neon Ne -249 -246
93 * 237 Neptunium Np 640 3902
28 58.6934 Nickel Ni 1453 2732
41 92.9064 Niobium Nb 2468 4927
7 14.0067 Nitrogen N -210 -196
102 * 259 Nobelium No 827
76 190.23 Osmium Os 3045 5027
8 15.9994 Oxygen O -218 -183
46 106.42 Palladium Pd 1552 2927
15 30.9738 Phosphorus P 44 280
78 195.078 Platinum Pt 1772 3827
94 * 244 Plutonium Pu 640 3235
84 * 209 Polonium Po 254 962
19 39.0983 Potassium K 64 774
59 140.9077 Praseodymium Pr 935 3127
61 * 145 Promethium Pm 1100 3000
91 231.0359 Protactinium Pa 1568
88 * 226 Radium Ra 700 1737
86 * 222 Radon Rn -71 -62
75 186.207 Rhenium Re 3180 5627
45 102.9055 Rhodium Rh 1966 3727
37 85.4678 Rubidium Rb 39 688
44 101.07 Ruthenium Ru 2250 3900
104 * 261 Rutherfordium Rf
62 150.36 Samarium Sm 1072 1900
21 44.9559 Scandium Sc 1539 2832
106 * 266 Seaborgium Sg
34 78.96 Selenium Se 217 685
14 28.0855 Silicon Si 1410 2355
47 107.8682 Silver Ag 962 2212
11 22.9897 Sodium Na 98 883
38 87.62 Strontium Sr 769 1384
16 32.065 Sulfur S 113 445
73 180.9479 Tantalum Ta 2996 5425
43 * 98 Technetium Tc 2200 4877
52 127.6 Tellurium Te 449 990
65 158.9253 Terbium Tb 1360 3041
81 204.3833 Thallium Tl 303 1457
90 232.0381 Thorium Th 1750 4790
69 168.9342 Thulium Tm 1545 1727
50 118.71 Tin Sn 232 2270
22 47.867 Titanium Ti 1660 3287
74 183.84 Tungsten W 3410 5660
92 238.0289 Uranium U 1132 3818
23 50.9415 Vanadium V 1890 3380
54 131.293 Xenon Xe -112 -108
70 173.04 Ytterbium Yb 824 1466
39 88.9059 Yttrium Y 1523 3337
30 65.39 Zinc Zn 420 907
40 91.224 Zirconium Zr 1852 4377

Abbreviations and Definitions :

No.-Atomic Number M.P.-melting point B.P.-boiling point

Atomic number: The number of protons in an atom. Each element is uniquely defined
by its atomic number.

Atomic mass: The mass of an atom is primarily determined by the number of protons
and neutrons in its nucleus. Atomic mass is measured in Atomic Mass Units (amu) which
are scaled relative to carbon, 12C, that is taken as a standard element with an atomic mass
of 12. This isotope of carbon has 6 protons and 6 neutrons. Thus, each proton and neutron
has a mass of about 1 amu.

Isotope: Atoms of the same element with the same atomic number, but different number
of neutrons. Isotope of an element is defined by the sum of the number of protons and
neutrons in its nucleus. Elements have more than one isotope with varying numbers of
neutrons. For example, there are two common isotopes of carbon, 12C and 13C which have
6 and 7 neutrons respectively. The abundances of different isotopes of elements vary in
nature depending on the source of materials. For relative abundances of isotopes in nature
see reference on Isotopic Composition of the Elements.

Atomic weight: Atomic weight values represent weighted average of the masses of all
naturally occurring isotopes of an element. The values shown here are based on the
IUPAC Commission determinations (Pure Appl. Chem. 73:667-683, 2001). The elements
marked with an asterisk have no stable nuclides. For these elements the weight value
shown represents the mass number of the longest-lived isotope of the element.

Electron configuration: The distribution of electrons according to the energy sublevels

(subshells) in uncharged atoms. The noble gas shown in square brackets (e.g. [He]),
marks that all the subshells associated with that element are fully occupied by electrons.
For further information see another web site.

Energy levels and sublevels

Principal energy level Sublevels available
(Quantum number: n) (Quantum number: l)
1 1s
2 2s 2p
3 3s 3p 3d
4 4s 4p 4d 4f
5 5s 5p 5d 5f 5g
6 6s 6p 6d 6f 6g 6h

Ionization energy (IE): The energy required to remove the outermost electron from an
atom or a positive ion in its ground level. The table lists only the first IE in eV units. To
convert to kJ/mol multiply by 96.4869. Reference: NIST Reference Table on Ground
levels and ionization energies for the neutral atoms. IE decreases going down a column of
the periodic table, and increases from left to right in a row. Thus, alkali metals have the
lowest IE in a period and Rare gases have the highest.

Chemical Nomenclature

Definition:

It is the system for naming chemical compounds. There are two systems of
chemical nomenclature: organic and inorganic.

Organic compound

Any member of a large class of chemical compounds whose molecules contain

carbon; for historical reasons discussed below, a few types of compounds such as
carbonates, carbon oxides and cyanides, as well as elemental carbon are considered
inorganic. The study of organic compounds is termed organic chemistry, and since it is a
vast collection of chemicals (over half of all known chemical compounds), systems have
been devised to classify organic compounds.

Inorganic compounds

Considered to be of mineral, not biological, origin. Complementarily, most

organic compounds are traditionally viewed as being of biological origin. Over the past
century, the precise classification of inorganic vs organic compounds has become less
important to scientists, primarily because the majority of known compounds are synthetic
and not of natural origin. Furthermore, most compounds considered the purview of
modern inorganic chemistry contain organic ligands. The fields of organometallic
chemistry and bioinorganic chemistry explicitly focus on the areas between the fields of
organic, biological, and inorganic chemistry.

Chemical nomenclature is the term given to the naming of compounds. Chemists use
specific rules and "conventions" to name different compounds. This section is designed to
help you review some of those rules and conventions.

There are five sections to this reading:

1. Forming ionic compounds

2. Naming ionic compounds
3. Naming molecular compounds
4. Naming acids
 5. Naming organic compounds

Oxidation

When forming compounds, it is important to know something about the way atoms
will react with each other. One important hint is the oxidation/reduction reaction.
Oxidation/Reduction reactions are the processes of losing and gaining electrons
respectively. Just remember, "LEO the lion says GER:" Lose Electrons Oxidation, Gain
Electrons Reduction. Oxidation numbers are assigned to atoms and compounds as a way
to tell scientists where the electrons are in a reaction. It is often referred to as the "charge"
on the atom or compound. The oxidation number is assigned according to a standard set
of rules. They are as follows:

1. An atom of a pure element has an oxidation number of zero.

2. For single atoms in an ion, their oxidation number is equal to their charge.
3. Fluorine is always -1 in compounds.
4. Cl, Br, and I are always -1 in compounds except when they are combined with O
or F.
5. H is normally +1 and O is normally -2.
6. The oxidation number of a compound is equal to the sum of the oxidation
numbers for each atom in the compound.

Forming Ionic Compounds

Knowing the oxidation number of a compound is very important when discussing

ionic compounds. Ionic compounds are combinations of positive and negative ions. They
are generally formed when nonmetals and metals bond. To determine which substance is
formed, we must use the charges of the ions involved. To make a neutral molecule, the
positive charge of the cation (positively-charged ion) must equal the negative charge of
the anion (negatively-charged ion). In order to create a neutral charged molecule, you
must combine the atoms in certain proportions. Scientists use subscripts to identify how
many of each atom makes up the molecule. For example, when combining magnesium
and nitrogen we know that the magnesium ion has a "+2" charge and the nitrogen ion has
a "-3" charge. To cancel these charges, we must have three magnesium atoms for every
two nitrogen atoms:

Mg2+ + N3- --> Mg3N2

Knowledge of the charges of ions is crucial to knowing the formulas of the compounds
formed.

• alkalis (1st column elements) form "+1" ions such as Na+ and Li+
• alkaline earth metals (2nd column elements) form "2+" ions such as Mg2+ and Ba2+
• halogens (7th column elements) form "-1" ions such as Cl1- and I1-

Naming Ionic Compounds

The outline below provides the rules for naming ionic compounds:

Positive Ions
 1. Monatomic cations (a single atom with a non-negative charge) take the name of
the element plus the word "ion"

Examples:
o Na+ = sodium ion
o Zn = zinc ion

2. If an element can form more than one (1) positive ion, the charge is indicated by
the Roman numeral in parentheses followed by the word "ion"

Examples:
o Fe2+ = iron(II) ion
o Fe3+ = iron (III) ion

Negative Ions

1. Monatomic anions (a single atom with a negative charge) change their ending to
"-ide"

Examples:
o O2- = oxide
o Cl- = chloride

2. Oxyanions (negatively charged polyatomic ions which contain O) end in "-ate".

However, if there is more than one oxyanion for a specific element then the
endings are:

3. Polyatomic anions (a negatively charged ion containing more than one type of
element) often add a hydrogen atom; in this case, the anion's name either adds
"hydrogen-" or "bi-" to the beginning

Example:
CO32- becomes HCO3-
"Carbonate" becomes either "Hydrogen Carbonate" or "Bicarbonate"

4. When combining cations and anions into an ionic compound, you always put the
cation name first and then the anion name (the molecules are also written in that
order as well.)

Examples:
o Na+ + Cl- --> NaCl
sodium + chloride --> sodium chloride
o Cu2+ + SO42- -->CuSO4
copper(II) + sulfate --> copper(II) sulfate
o Al3+ + NO3- --> Al(NO3)3
aluminum + nitrate --> aluminum nitrate

Arrangement of Atoms
 In naming ions, it is important to consider "isomers." Isomers are compounds with the
same molecular formula, but different arrangements of atoms. Thus, it is important to
include some signal within the name of the ion that identifies which arrangement you are
talking about. There are three main types of classification, geometric, optical and
structural isomers.

1. Geometric isomers refers to which side of the ion atoms lie. The prefixes used to
distinguish geometric isomers are cis meaning substituents lie on the same side of
the ion and trans meaning they lie on opposite sides. Below is a diagram to help
you remember.

2. Optical isomers differ in the arrangement of four groups around a chiral carbon.
These two isomers are differentiated as L and D.

3. Structural isomers differentiate between the placement of two chlorine atoms

around a hexagonal carbon ring. These three isomers are identified as o, m, and p.
Once again we have given you a few clues to help your memory.

Naming Binary Molecular Compounds

Molecular compounds are formed from the covalent bonding between non-metallic
elements. The nomenclature for these compounds is described in the following set of
rules.
 1. The more positive atom is written first (the atom which is the furthest to the left
and to the bottom of the periodic table)
2. The more negative second atom has an "-ide" ending.
3. Each prefix indicates the number of each atom present in the compound.
Number of Atoms Prefix Number of Atoms Prefix
1 mono 6 hexa
2 di 7 hepta
3 tri 8 octa
4 tetra 9 nona
5 penta 10 deca
4.
Examples:
CO2 = carbon dioxide
P4S10 = tetraphosphorus decasulfide

Naming Inorganic Acids

1. Binary acids (H plus a nonmetal element) are acids that dissociate into
hydrogen atoms and anions in water. Acids that only release one hydrogen
atom are known as monoprotic. Those acids that release more than one
hydrogen atom are called polyproticacids. When naming these binary
acids, you merely add "hydro-" (denoting the presence of a hydrogen
atom) to the beginning and "-ic acid" to the end of the anion name.

Examples:
HCl = hydrochloric acid HBr = hydrobromic acid
2. Ternary acids (also called oxyacids, are formed by hydrogen plus another
element plus oxygen) are based on the name of the anion. In this case, the
-ate, and -ite suffixes for the anion are replaced with -ic and -ous
respectively. The new anion name is then followed by the word "acid."
The chart below depicts the changes in nomenclature.

Anion name Acid name

hypo___ite hypo___ous acid
___ite ___ous acid
___ate ___ic acid
per___ate per___ic acid
3.
Example:
ClO4 to HClO4 => perchlorate to perchloric acid ClO to HClO =>
hypochlorite to hypochlorous acid

Naming organic compounds

4. A detailed treatise on naming organic compounds is beyond the scope of

these materials, but some basics are presented. The wise chemistry student
 should consider memorizing the prefixes of the first ten organic
compounds:
Number of Carbons Prefix
1 meth-
2 eth-
3 prop-
4 but-
5 pent-
6 hex-
7 hept-
8 oct-
9 non-
10 dec-
5. There are four basic types of organic hydrocarbons, those chemicals with
only carbon and hydrogen:
1. Single bonds (alkane): suffix is "ane", formula CnH2n+2
2. Double bonds (alkene): suffix is "ene", formula CnH2n
3. Triple bonds (alkyne): suffix is "yne", formula CnH2n-2
4. Cyclic compounds: use prefix "cyclo"

So, for example, an organic compound with the formula "C6H14" would be
recognized as an alkane with six carbons, so its name is "hexane".

Examples:
N2O4 = dinitrogen tetraoxide
S2F10 = disulfur decafluoride