CHAPTER I

INTRODUCTION

1.1. Background
Mathematics is used widely in chemistry as well as all other sciences. Mathematical
calculations are absolutely necessary to explore important concepts in chemistry. Without
some basic mathematics skills, these calculations, and therefore chemistry itself, will be
extremely difficult. However, with a basic knowledge of some of the mathematics that will
be used in your chemistry course, you will be well prepared to deal with the concepts and
theories of chemistry.
Mathematicss is a convenient and fast shortland language that summarizes the details
of particular topic of Chemistry, it is a language of Chemistry. Maths is also the underlying
of all the Sciences, Engineering, Economics and many other subjects. So, we won’t be able
to become really fluent in Chemistry untill we understand it’s “shortland” language. We
recommend a mathematics major consisting of the following discussion, such as :
Integration, Vectors and Complex Numbers.

1.2. Formulation Of Problem

1. What is the definition and the examples of Integration?
2. What is the definition and the examples of Vectors?
3. What is the definition and the examples of Complex Numbers?
4. How do we relate the application of Mathematics to Chemical reactions ?

1.3 Purpose of the Paper

1. To find out the definition and the examples of Integration
2. To find out the definition and the examples of Vectors
3. To find out the definition and the examples of Complex Numbers
4. To know the application of Mathematics to Chemical reactions

1
 CHAPTER II
DISCUSSION
2.1. Integration
The field of mathematics which deals with integration is known as integral calculus
and, in common with differential calculus, plays a vital role in underpinning many key areas of
chemistry. Integration is used frequently in kinetics, thermodynamics, quantum mechanics and
other areas of chemistry, where we build models based on changing quantities. Thus, if we know
the rate of change of a property, y (the dependent variable), with respect to x (the independent
variable), in the form of dy/dx, then integral calculus provides us with the tools for obtaining the
form of y as a function of x.We see that integration reverses the effects of differentiation.
Consider, for example, a car undergoing a journey with an initial speed u and
moving with a constant acceleration a. The speed, v, and distance, s, travelled after time t are given
by:
1
v = u + at and s = ut + 2 𝑎𝑡 2 (2.1)

The rate of change of distance with time yields the speed, v at time, t
𝑑𝑠
= 𝑢 + 𝑎𝑡 = 𝑣 (2.2)
𝑑𝑡

However, the reverse process, in going from speed to distance, involves integration
of the (2.2). In chemistry, the concept of rate is central to an understanding of chemical kinetics, in
which we have to deal with analogous rate equations which typically involve the rate of change of
concentration, rather than the rate of change of distance. For example, in a first-order chemical
reaction, where the rate of loss of the reactant is proportional to the concentration of the reactant,
the rate equation takes the form:
−𝑑[𝐴]
= 𝑘[𝐴](2.3)
𝑑𝑡
where k, the constant of proportionality, is defined as the rate constant. The
concentration of the reactant at a given time is found by integrating the rate equation (2.3), and the
relationship between the differentiated and integrated forms of the rate equation is given
schematically by:
−𝑑[𝐴]
= 𝑘[𝐴]
𝑑𝑡
𝑑𝑖𝑓𝑓𝑒𝑟𝑒𝑛𝑡𝑖𝑎𝑡𝑒 ↑ ↓ 𝑖𝑛𝑡𝑒𝑔𝑟𝑎𝑡𝑒
[A] = [A]0e−𝑘𝑡

2
where [A]0 is the initial concentration of reactant A.
 The Difinite Integral is a number whose value depends on the function f and
the numbers a and b, and it is defined as the limit of a riemann sum.
The definite integral of a function y =f(x) is usually written as:
𝑏
∫ 𝑓 (𝑥)𝑑𝑥 = 𝐹 (𝑏) − 𝐹 (𝑎)
𝑎
Examples :
3 𝑥 3 − 64
(i) Evaluate ∫1 𝑑𝑥
𝑥−4

Solutions :
3 𝑥 3 − 64 3 (𝑥−4)(𝑥 2 +4𝑥+16)
∫1 𝑑𝑥 = ∫1 𝑑𝑥
𝑥−4 (𝑥−4)
3
= ∫1 (𝑥 2 + 4𝑥 + 16) 𝑑𝑥
𝑥3
= + 2𝑥 2 + 16] 31
3
33 13
= [ 3 + 2(3)2 + 16]- [ 3 + 2(1)2 + 16]

= 75 - 1813 = 5623

7 2𝑥
(ii) Find ∫4 dx
√8−𝑥

Solution :
1
If u = (8 − 𝑥)2
−1
𝑑𝑢 1
Then = (8 − 𝑥) 2 (-1)
𝑑𝑥 2
1
=- 1
2(8−𝑥)2
1
= - 2𝑢
𝑑𝑥
So = -2u  dx = -2u du
𝑑𝑢

Now we need to find x in terms u

1
If u = (8 − 𝑥)2 then u2 = (8 – x)
1
u = (8 – x)2  x = 4, u = 2 and if x = 7, u = 1
7 2𝑥
The area is given by ∫4 dx And then rewrite this in terms of u
√8−𝑥
7 2(8−𝑢2 ) 2
∫4 -2u du = ∫1 −4 (8 − 𝑢2 ) du
𝑢

3
 2
= 4 ∫1 (𝑢2 − 8)
𝑢3
= 4 [ 3 − 8𝑢] 2
1
8 1
= 4 [3 − 16] - [3 − 8]
7 2
= 4 [3 − 8] = -223
𝜋
(iii) Find ∫02 2𝑥 cos 𝑥 dx
Solution :
𝑑𝑣
Let u = 2x and = cos x dx
𝑑𝑥
𝑑𝑢
So = 2 and v = sin x
𝑑𝑥
𝜋
𝑏 𝑏 𝑑𝑢
∫02 2𝑥 cos 𝑥 𝑑𝑥 = [𝑢𝑣] 𝑎 - ∫𝑎 𝑣 𝑑𝑥 𝑑𝑥
𝜋 𝜋
= [2𝑥 sin 𝑥] 02 - ∫02 2 sin 𝑥 𝑑𝑥
𝜋
𝜋
= (π sin 2 − 0) - [−2 cos 𝑥] 02
𝜋
= π – (-2 cos 2 + 2 cos 0 )

= π–2
𝜋
(iv) Evaluate ∫02 sin 2𝑥 cos 2𝑥 𝑑𝑥
Solution :
𝜋
2
∫ sin 2𝑥 cos 2𝑥 𝑑𝑥
0
𝜋
1 2 1 𝜋⁄
= ∫ sin 4𝑥 𝑑𝑥 = − [cos 4𝑥] 2
2 0 8 0
1 1
= 8 [cos 2𝜋 − cos 0] = [cos(0) − cos(0)] = 0
8

𝜋
(v) Evaluate ∫0 sin 𝑥 cos 2𝑥 𝑑𝑥
Solution :
𝜋
∫ sin 𝑥 cos 2𝑥 𝑑𝑥
0

1 𝜋 1 1 𝜋
= ∫ [sin 3𝑥 − sin 𝑥] 𝑑𝑥 = [ cos 3𝑥 − cos 𝑥]
2 0 2 3 0
1 1 1 2
= − 2 {[− 3 + 1] − [3 − 1]} = − 3

4
 The Indifinite Integral
The indefinite integral of a function y =f(x) is usually written as:

∫ 𝑓 (𝑥)𝑑𝑥 = 𝐹 (𝑥) + 𝐶

 F(x) is known as the integrand

 C is an arbitrary constant called the constant of integration
 F(x) + C is known as the indefinite integral
The new function, y = F(x) + C, which we obtain after integration, must be
such that its derivative is equal to f(x), to ensure that the definition conforms
with the requirement that integration is the reverse (or inverse) of
differentiation. Thus, we must have:
𝑑
(𝐹(𝑥) + 𝐶) = 𝐹 (x) = f(x)
𝑑𝑥

The indefinite integral is determined by finding a suitable function,

F(x), which, on differentiation, yields the function we are trying to integrate,
and to which we then add a constant. For simple functions, a set of standard
indefinite integrals can be constructed without too much difficulty, some of
which are listed in Table 2.1

Type Substitution Result

1. ∫ 𝒇 (𝒙)𝒇 (x) u = f(x), du = f(x) dx 1 2
∫ 𝑢 𝑑𝑢 = 𝑢 + 𝐶
2
𝒇(𝒙) u = f (x), du = f(x) dx 𝑑𝑢
2. ∫ 𝒇 (𝒙) 𝒅𝒙 ∫ = ln 𝑢 + 𝐶
𝑢
3. ∫ 𝒇 (𝐬𝐢𝐧 𝒙 ) 𝐜𝐨𝐬 𝒙 𝒅𝒙 u = sin x, du = cos x dx ∫ 𝑓 (𝑢)𝑑𝑢
4. ∫ 𝒇 (𝐜𝐨𝐬 𝒙) 𝐬𝐢𝐧 𝒙 𝒅𝒙 u = cos x, du = -sin x dx − ∫ 𝑓 (𝑢)𝑑𝑢
Table 2.1 A selection of function f(x) and their indifinite integrals F(x) + c

Examples :
(i) Integrating Exponential Functions
6
Find ∫ dx
𝑒 3𝑥
Solution :
6 −3𝑥
∫ 𝑒 3𝑥 dx = ∫ 6𝑒
6
= ∫ −3 𝑒 −3𝑥 + c
5
 −2
= −2𝑒 −3𝑥 + c = 𝑒 3𝑥 + c

(ii) Integrating Natural Logarithm Functions

1
Find ∫ 5𝑥+4 dx

Solution :
1 1 5
∫ 5𝑥+4 dx = 5 ∫ 5𝑥+4 dx
1
= 5 ln (5x +4) + c

(iii) Integrating Trigonometric Functions

Find ∫ 4 sin 𝑥 + 7𝑒 𝑥 dx
Solution :
∫ 4 sin 𝑥 + 7𝑒 𝑥 dx = ∫ 4 sin 𝑥 + ∫ 7𝑒 𝑥 + c
= 4 ∫ sin 𝑥 + 7 ∫ 𝑒 𝑥 + c
= 4 (–cos x) + 7𝑒 𝑥 + c
= 7𝑒 𝑥 - 4 cos x + c
(iv) Find ∫ cos 5𝑥 cos 2𝑥 𝑑𝑥
Solution :
1
∫ cos 5𝑥 cos 2𝑥 𝑑𝑥 = 2 ∫[cos 7𝑥 + cos 3𝑥] 𝑑𝑥
1 1 1
= 2 [7 sin 7𝑥 + sin 3𝑥] + C
3
1 1
= 14 sin 7𝑥 + sin 3𝑥 + C
6
1
= 42 [3 sin 7𝑥 + 7 sin 3𝑥] + 𝐶

(v) Find ∫ sin 𝑥 cos 3𝑥 𝑑𝑥

Solution :
1
∫ sin 𝑥 cos 3𝑥 𝑑𝑥 = 2 [sin 4𝑥 − sin 2𝑥] 𝑑𝑥
1 1 1
= 2 [− 4 cos 4𝑥 + cos 2𝑥 ] + C
2
1 1
= − 8 cos 4𝑥 + cos 2𝑥 + 𝐶
4
1
= 8 [2 cos 2𝑥 − cos 4𝑥] + 𝐶

 General Strategies for Solving More Complicated Integrals

Integrals involving complicated forms for f(x) require strategies for reducing
the integral to one or more integrals of simpler (standard) form,thus making it
possible to find F(x). If all else fails, or we do not have an explicit form for

6
f(x), then numerical integration must be carried out, using methods described
elsewhere. Some of the strategies involved in simplifying the form of an
integral are quite straightforward. For example:

∫(3x 2 + 2x + 1)dx

then we may be able to rewrite such an integral as a sum of standard

integrals that are immediately recognizable:

∫(3𝑥 2 + 2𝑥 + 1)𝑑𝑥 = ∫ 3𝑥 2 𝑑𝑥 + ∫ 2𝑥 𝑑𝑥 + ∫ 1𝑑𝑥

Integrals can be simplified by placing constant terms outside the integral,

e.g.:

∫(3𝑥 2 + 2𝑥 + 1)𝑑𝑥 = 3 ∫ 𝑥 2 𝑑𝑥 + 2 ∫ 𝑥𝑑𝑥 + ∫ 1𝑑𝑥

In practice, we may find ourselves faced with more complicated functions,

the solutions to which require us to use methods involving adaptation of some
of the rules for differentiation. The choice of method more often than not
involves some guesswork, but coming up with the correct guesses is all part
of the fun! In addition, it may be necessary to use a combination of several
methods. In the following two sections, we discuss integration by parts and
substitution method.
 Integration by Parts
This method starts from the familiar product rule, used in differential
calculus
𝑑 𝑑𝑢 𝑑𝑣
(𝑢𝑣) = 𝑣 + 𝑢
𝑑𝑥 𝑑𝑥 𝑑𝑥

Integration over x yields:

𝑑 𝑑𝑢 𝑑𝑣
∫ (𝑢𝑣)𝑑𝑥 = ∫ 𝑣 𝑑𝑥 + ∫ 𝑢 𝑑𝑥
𝑑𝑥 𝑑𝑥 𝑑𝑥
𝑑
and, on using the properties of differentials, the left side ∫ 𝑑𝑥 (𝑢𝑣)𝑑𝑥

becomes ∫ 𝑑 (𝑢𝑣) = 𝑢𝑣. it follows that rearrangement of the above

expression yields :
𝑑𝑣 𝑑𝑢
∫𝑢 𝑑𝑥 = 𝑢𝑣 − ∫ 𝑣 𝑑𝑥
𝑑𝑥 𝑑𝑥

7
The equation shows that the integral on the left side, which is the one
sought, is replaced by two terms, one of which is another integral
which we hope is more tractable than the initial integral. This method
of integral evaluation is appropriate for integrands of product form.
The success of the method relies on making the right choices for u
and dv/dx. The term identified as u is differentiated to form part of the
integrand on the right side of equation; the other part of the integrand
is formed by integrating the term identified as dv/dx.
Examples :
(i) Find ∫ 8𝑥 ln 𝑥 𝑑𝑥
Solution :
𝑑𝑣
Let u = ln x and = 8𝑥
𝑑𝑥
𝑑𝑢 1
So 𝑑𝑥 = 𝑥 and v = 4x2
𝑑𝑢
∫ 8𝑥 ln 𝑥 𝑑𝑥 = uv - ∫ 𝑣 𝑑𝑥
𝑑𝑥
1
= 4x2 ln 𝑥 - ∫ 4𝑥 2 . 𝑑𝑥
𝑥

= 4x2 ln 𝑥 - ∫ 4𝑥𝑑𝑥
= 4x2 ln 𝑥 - 2x2 + C
= 2x2 (2ln 𝑥 − 1) + C

(ii) Evaluate ∫(𝑥 + 1)2 cos 2𝑥 𝑑𝑥

Solution :
𝑑𝑣
Let u = (x +1)2 and 𝑑𝑥 = cos 2𝑥 𝑑𝑥
𝑑𝑢 1
So 𝑑𝑥 = 2 (x +1) and v = 2 sin 2𝑥
𝑑𝑢
∫(𝑥 + 1)2 cos 2𝑥 𝑑𝑥 = uv – ∫ 𝑣 𝑑𝑥
𝑑𝑥
1 1
= (x +1)2 2 sin 2𝑥 - ∫ 2 sin 2𝑥 . 2 (𝑥 + 1) dx
1
= 2 sin 2𝑥 (x + 1)2 - ∫ sin 2x (x + 1)
1 1
= 2 sin 2𝑥 (x + 1)2 − {− 2 (𝑥 + 1) cos 2𝑥 +
1
2
∫ cos 2𝑥 𝑑𝑥}
1 1
= 2 (𝑥 + 1)2 sin 2x + 2 (𝑥 + 1) cos 2𝑥 −
1
sin 2𝑥 + 𝐶
4

8
(iii) Evaluate ∫ 𝑥 3 sin 𝑥 𝑑𝑥
Solution :
𝑑𝑣
Let u = x3 and 𝑑𝑥 = sin 𝑥
𝑑𝑢
So 𝑑𝑥 = 3𝑥 2 and v = −cos 𝑥

∫ 𝑥 3 sin 𝑥 𝑑𝑥 = uv – ∫ 𝑣 𝑑𝑢
= x3 – cos x - ∫ − cos 𝑥 . 3𝑥 2 𝑑𝑥
= -x3 cos x + 3 ∫ x 2 cos 𝑥
= −𝑥 3 cos 𝑥 + 3 { x 2 sin 𝑥 − 2 ∫ 𝑥 sin 𝑥 𝑑𝑥 }
= −𝑥 3 cos 𝑥 + 3 {𝑥 2 sin 𝑥 − 2 [– 𝑥 cos 𝑥 +
∫ cos 𝑥 𝑑𝑥]}
= −𝑥 3 cos 𝑥 + 3 {𝑥 2 sin 𝑥 − 2 [– 𝑥 cos 𝑥 + sin 𝑥]} + C
= −𝑥 3 cos 𝑥 + 3𝑥 2 sin 𝑥 − 6 [– 𝑥 cos 𝑥 + sin 𝑥] + C
= 3𝑥 2 sin 𝑥 − 6 sin 𝑥 + 6𝑥 cos 𝑥 − 𝑥 3 cos 𝑥 + 𝐶
= 3 (𝑥 2 − 2) sin 𝑥 + 𝑥(𝑥 2 − 6) cos 𝑥 + 𝐶

(iv) Evaluate ∫ 𝑒 −𝑥 sin 2𝑥 𝑑𝑥

Solution :
𝑑𝑣
u = sin 2𝑥 and = 𝑒 −𝑥
𝑑𝑥
𝑑𝑢
Then = 2 cos 2𝑥 and v = −𝑒 −𝑥
𝑑𝑥
𝑑𝑢
∫ 𝑒 −𝑥 sin 2𝑥 𝑑𝑥 = uv – ∫ 𝑣 𝑑𝑥
𝑑𝑥

= −𝑒 −𝑥 sin 2𝑥 - ∫ −𝑒 −𝑥 . 2 cos 2𝑥 𝑑𝑥
= −𝑒 −𝑥 sin 2𝑥 + 2 ∫ 𝑒 −𝑥 cos 2𝑥 𝑑𝑥
= −𝑒 −𝑥 sin 2𝑥 + 2 {−𝑒 −𝑥 cos 2𝑥 − 2 ∫ 𝑒 −𝑥 sin 2𝑥}
= −𝑒 −𝑥 [sin 2𝑥 + 2 cos 2𝑥] - 4∫ 𝑒 −𝑥 sin 2𝑥 𝑑𝑥
The integral occurs on both sides of the equal sign, hence we
have:
1
∫ 𝑒 −𝑥 sin 2𝑥 𝑑𝑥 = − 5 𝑒 −𝑥 [sin 2𝑥 + 2 cos 2𝑥] + 𝐶

(v) Evaluate ∫ 𝑥 2 𝑒 2𝑥 𝑑𝑥
Solution :
𝑑𝑣
u = x2 and 𝑑𝑥 = 𝑒 2𝑥
9
 𝑑𝑢 1
Then 𝑑𝑥 = 2𝑥 and v = 2 𝑒 2𝑥
1 1
∫ 𝑥 2 𝑒 2𝑥 𝑑𝑥 = 2 𝑥 2 𝑒 2𝑥 - ∫ 2𝑥 . 2 𝑒 2𝑥
1
= 𝑥 2 𝑒 2𝑥 − ∫ 𝑥𝑒 2𝑥
2
1 1 1
= 2 𝑥 2 𝑒 2𝑥 − {2 𝑥𝑒 2𝑥 − ∫ 𝑒 2𝑥 𝑑𝑥}
2
1 1 1 1 2𝑥
= 2 𝑥 2 − {2 𝑥𝑒 2𝑥 − [ 𝑒 ]} +C
2 2
1
= 4 [2𝑥 2 − 2𝑥 + 1] 𝑒 2𝑥 + 𝐶

 Integration Using The Substitution Method

The second integration technique, known as the substitution method,
derives from the inversion of the chain rule for differentiation. The
objective here, once again, is to transform the integrand into a simpler
or, preferably, a standard form. However, just like the integration by
parts method, there is usually a choice of substitutions and although,
in some cases, different substitutions yield different answers, these
answers must only differ by a constant (remember that, for an
indefinite integral, the answer is determined by inclusion of a
constant).
Examples :

(i) Find ∫ 𝑥(2𝑥 − 5)5 dx

Solution :
∫ 𝑥(2𝑥 − 5)5 dx
Let u = 2x2 + 5x
𝑑𝑢
= 4x
𝑑𝑥
𝑑𝑥 1
= 4𝑥
𝑑𝑢
1
dx = 4𝑥du
1
∫ 𝑥(2𝑥 − 5)5 dx = ∫ 𝑥𝑢5 4𝑥
1 1
= 4
∫ 𝑢5 = 24
𝑢6 + c

(ii) Evaluate ∫(3𝑥 2 + 2𝑥 + 5)3 (3𝑥 + 1)𝑑𝑥

10
 Solution :
Let 𝑢 = (3𝑥 2 + 2𝑥 + 5)
𝑑𝑢
And 𝑑𝑥 = 6𝑥 + 2
𝑑𝑥 1
=
𝑑𝑢 6𝑥 + 2
1
𝑑𝑥 = 𝑑𝑢
6𝑥 + 2
Therefore ∫(3𝑥 2 + 2𝑥 + 5)3 (3𝑥 + 1)𝑑𝑥
1
= ∫ 𝑢3 (3𝑥 + 1) 𝑑𝑢
6𝑥+2
1 1 1 1 1
=
2
∫ 𝑢3 𝑑𝑢 = 2 . 4 𝑢4 + 𝐶 = 8 𝑢4 + 𝐶 = 8 (3𝑥 2 + 2𝑥 + 5)4 + 𝐶

1⁄
(iii) Evaluate ∫(2𝑥 3 + 3𝑥 − 1) 3 (2𝑥 2 + 1) 𝑑𝑥
Solution :
Let 𝑢 = 2𝑥 3 + 3𝑥 − 1
𝑑𝑢
= 6𝑥 2 + 3
𝑑𝑥
𝑑𝑥 1
=
𝑑𝑢 6𝑥 2 + 3
1
𝑑𝑥 = 2
𝑑𝑢
6𝑥 + 3
1⁄
∫(2𝑥 3 + 3𝑥 − 1) 3 (2𝑥 2 + 1) 𝑑𝑥
1⁄ 1
= ∫𝑢 3 . (2𝑥 2 + 1) 𝑑𝑢
6𝑥 2 + 3
1 1⁄ 1 3 4⁄ 1 4⁄
= ∫𝑢 3 𝑑𝑢 = 3 .4 𝑢 3 = 4 (2𝑥 3 + 3𝑥 − 1) 3 + 𝐶
3

2
(iv) Evaluate ∫(1 − 𝑥)𝑒 4𝑥−2𝑥 𝑑𝑥
Solution :
Let u = 4𝑥 − 2𝑥 2
𝑑𝑢
= 4 − 4𝑥
𝑑𝑥
𝑑𝑥 1
=
𝑑𝑢 4 − 4𝑥
1
𝑑𝑥 = 𝑑𝑢
4 − 4𝑥
2 1
Therefore ∫(1 − 𝑥)𝑒 4𝑥−2𝑥 𝑑𝑥 = ∫ 𝑒 𝑢 . (1 − 𝑥) 4−4𝑥 𝑑𝑢

11
 1 1 1 2 − 2𝑥 2
= 4 ∫ 𝑒 𝑢 𝑑𝑢 = 4 𝑒 𝑢 = 𝑒 4𝑥
4
cos 𝑥
(v) Evaluate ∫ 1−sin 𝑥 𝑑𝑥

Solution :
𝑢 = 1 − sin 𝑥
𝑑𝑢
= − cos 𝑥
𝑑𝑥
𝑑𝑥 1
=
𝑑𝑢 − cos 𝑥
1
𝑑𝑥 = 𝑑𝑢
− cos 𝑥
cos 𝑥 cos 𝑥 1
Therefore ∫ 1−sin 𝑥 𝑑𝑥 = ∫ . − cos 𝑥 𝑑𝑢
𝑢
1
= − ∫ 𝑢 𝑑𝑢 = − ln 𝑢 + 𝐶

= − ln(1 − sin 𝑥) + 𝐶
√𝑥
(vi) Evaluate ∫ 1+𝑥 𝑑𝑥

Solution :
𝑢 = √𝑥
𝑥 = 𝑢2
𝑑𝑢 1
=
𝑑𝑥 2 √𝑥
𝑑𝑥
= 2 √𝑥
𝑑𝑢
𝑑𝑥 = 2𝑢 𝑑𝑢
Therefore
√𝑥 𝑢
∫ 𝑑𝑥 = ∫ 2𝑢 𝑑𝑢
1+𝑥 1+𝑥
2𝑢2
= ∫ 1+𝑢2 𝑑𝑢
𝑢2
= 2 ∫ 1+𝑢2 𝑑𝑢
1+𝑢2 1 1
= 2 ∫ [1+ 𝑢2 − ] 𝑑𝑢 = 2 ∫ [1 − 1+ 𝑢2 𝑑𝑢]
1+ 𝑢2

= 2 [𝑢 tan−1 𝑢] + 𝐶
= 2 [√𝑥 tan−1 √𝑥] + 𝐶

12
 2.1.1. Applications of Integral for Chemical reactions
Problems :
(i) For the expansion of a perfect gas at constant temperature, the reversible
work is given by the expression :
𝑉𝑏
W = ∫𝑉𝑎 𝑝𝑑𝑉
Where : p = nRT/V and Va and Vb are the initial and final volumes, respectively.
Derive an expression for the work done by evaluating the integral btween the limits
Va and Vb
Solutions :
𝑉𝑏
W = ∫𝑉𝑎 𝑝𝑑𝑉
As we know, p = nRT/V
𝑉𝑏 𝑛𝑅𝑇
W = ∫𝑉𝑎 𝑑𝑉
𝑉
𝑉𝑏 𝑑𝑉
= nRT ∫𝑉𝑎 𝑉
𝑉𝑏
= nRT [ln 𝑉] 𝑉𝑎
= nRT {ln 𝑉𝑏 − ln 𝑉𝑎}
𝑉𝑏
= nRT ln 𝑉𝑎

(ii) Let K be the equilibrium constant for the formaton of CO2 and H2 from CO
and H2O at agiven temperature T. From thermodynamics, we know that :
𝑑
ln 𝐾 = ∆𝐻/ RT2
𝑑𝑡

a. Assuming that ∆𝐻 is independent of temperature, integrate the equation

to find how ln 𝐾 varies with T
b. Given ∆𝐻 = 42,3 kJ mol-1, find the change in ln 𝑘 as the temperatur is
raised from 500K to 600K
Solutions :
𝑑 ∆𝐻 ∆𝐻 ∆𝐻 1 −∆𝐻
a. ln 𝐾 = 𝑅𝑇 2 ↔ ln 𝐾 = ∫ 𝑅𝑇 2 𝑑𝑇 = ∫ 𝑇 2 𝑑𝑇 = +C
𝑑𝑡 𝑅 𝑅𝑇
600𝐾 ∆𝐻 −∆𝐻 −∆𝐻
b. ∆ ln 𝐾 = ∫500𝐾 𝑑𝑇 = 𝑅 ×600 - 𝑅×500
𝑅𝑇 2
1 1
= ∆𝐻 {𝑅×500 − }
𝑅 ×600
1 1
= 42.3 × 103 J mol-1{8.314 J K−1 mol−1 ×500 K − }
8.314 J K−1 mol−1 ×600 K

= 1.696
2.2 Vectors
13
 In our day to day life, we come across many queries such as – What is your height? How
should a football player hit the ball to give a pass to another player of his team? Observe that a
possible answer to the first query may be 1.6 meters, a quantity that involves only one value
(magnitude) which is a real number. Such quantities are called scalars. However, an answer to the
second query is a quantity (called force) which involves muscular strength (magnitude) and
direction (in which another player is positioned). Such quantities are called vectors. In mathematics,
physics and engineering, we frequently come across with both types of quantities, namely, scalar
quantities such as length, mass, time, distance, speed, area, volume, temperature, work, money,
voltage, density, resistance etc. and vector quantities like displacement, velocity, acceleration, force,
weight, momentum, electric field intensity, etc. In this chapter, we will study some of the basic
concepts about vectors, various operations on vectors, and their algebraic and geometric properties.
These two type of properties, when considered together give a full realisation to the concept of
vectors, and lead to their vital applicability in various areas as mentioned above.

 Representing Vectors
A vector can be represented using a line segment with an arrow on it. For example,
the vector that goes from the point A to the point B can be represented by the following directed line
segment. Thus, a directed line segment has magnitude as well as direction.

Definition 1 A quantity that has magnitude as well as direction is called a vector. The
magnitude of the vector is given by the length of the line and the direction of the vector is given
⃗⃗⃗⃗⃗ . Vectors can also be written using single
by the arrow on the line. We can write this vector as 𝐴𝐵
letters in bold type. For example, we can call this vector a. When this is hand-written, the a is

written as a . The point A from where the vector AB starts is called its initial point, and the point
B where it ends is called its terminal point. To go from the point A to the point B we must move 6
units to the right and 3 units up. We can represent this movement using a column vector. For the
example : (63). 6 is component that tells us the number of units moved in the x-direction and 3 is
component that tells us the number of units moved in the y-direction. We can also represent vectors
in three dimensions relative to a three dimensional coordinate grid :

14
 A third axis, the z-axis, is added at right angles to the xy-plane. Conventionally, we
show the z-axis pointing vertically upwards with the xy-plane horizontal. For example, consider the
following three-dimensional vector.

To go from the point C to the point D we must move 5 units in the x-direction, –3
units in the y-direction and –2 units in the z-direction. This three-dimensional vector can be written
5
in column vector form as (−3
−2
). 5 is component that tells us the number of units moved in the x-

direction, -3 is component that tells us the number of units moved in the y-direction and -2 is
component that tells us the number of units moved in the z-direction.
 The Unit Base Vectors
The unit base vectors, i and j, run parallel to the x- and y-axes. The situation is
shown by figure below.

5
Any column vector can easily be written in terms of i and j. For example, (−4 )= 5i –
4j. The number of i’s tells us how many units are moved horizontally, and the number of j’s tells us
how many units are moved vertically. In three dimensions, we introduce a third unit base vector, k,
that runs parallel to the z-axis.

15
 −1
For example, the three-dimensional vector (−3
6 ) can be written in terms of i, j and k

as –i + 6j –3k. Vectors written in terms of the unit base vectors i, j and k are usually said to be
written in component form.

 Finding the Magnitude of Vectors

The magnitude (or modulus) of a vector is given by the length of the line segment
⃗⃗⃗⃗⃗⃗⃗⃗⃗ |𝐴|
representing it. The magnitude of this vector is written as |𝐴𝐵| ⃗⃗⃗⃗⃗ or a. We can calculate this
𝟒
using Pythagoras’s Theorem. For example, suppose we have the vector ⃗⃗⃗⃗⃗
𝐴𝐵 = a = (−𝟐)

⃗⃗⃗⃗⃗⃗⃗⃗⃗ = √42 + 22 = √16 + 4 = √20 =2 √5.

So, |𝐴𝐵|
3
⃗⃗⃗⃗⃗ = ( 6 ) , we can applying Pythagoras’s
If we suppose have a vector 𝐴𝐵 −2

Theorem in three dimensions. Thus, we have ⃗⃗⃗⃗⃗⃗⃗⃗⃗

|𝐴𝐵| = √32 + 62 + (−2)2 = √9 + 36 + 4 = √49 =7.

 The Operation Of Vectors

Addition and Substraction Vectors
If 2 similar vectors point in the SAME direction, add them. But If 2 vectors are going
in opposite directions, you SUBTRACT.
Example :
A man walks 54.5 meters east, then another 30 meters east. Calculate his
displacement relative to where he started?
Solution :
54.5 m 30 m

84.5 m
Multiplying Vectors
Two common operations involving vectors are the dot product and the cross
product. Let two vectors be given : (u1,u2,u3) and (v1,v2,v3) be given.
16
1. The “Dot” Product
The dot product of u and v is written u ∙ v and is defined two ways:
 u ∙ v = u1v1 + u2v2 + u3v3.
 u ∙ v = |𝐮||𝐯| cos 𝜃, where θ is the angle formed by u and v
The two definitions are the same. They are related to one another by
the Law of Cosines. The first method of calculation is easier because it is
the sum of the products of corresponding components. The second method
of calculation can be used if we know the angle θ formed by u and v.
It is important to note that the dot product always result in a scalar
value. Furthermore, the dot symbol “.” Always refers to a dot product of
two vectors, not traditional multiplication of two scalars as we have
previously known. To avoid confusion, pay attention to the context in which
the dot symbol is used.
Example : Find u . v, where u = (3,-4,1) and v = (3,2,-6). Then find
the angle θ formed by u and v.
Solution : Using the first method of calculation, we have
u  v = (3)(5) + (-4) (2) + (1) (-6)
= 15 + (-8) + (-6)
=1
To find θ, we use the second method of calculation and solve for θ,
using a calculator degree mode for the last step.
𝐮 .𝐯 1
θ = cos −1 (|𝐮||𝐯|) = cos−1 ≈ 88,61°
√26√25

 Some Properties of the Dot Product

The dot scalar product of two vectors u and v has the following
properties, such as :
1) The dot product is commutative. That is, u ∙ v = v ∙ u
2) u ∙ u = |𝐮|2 That is, the dot product of a vector with itself is the
square of the magnitude of the vector. This formula relates the dot
product of a vector with the vector’s magnitude.
3) The dot product of the zero vector 0 with any other vector results in
the scalar value 0. That is, 0 ∙ v =v ∙ 0 = 0. It is possible that two non-
zero vectors may results in a dot product of 0. This is discussed
below.

17
 4) If u ∙ v > 0, that is, u ∙ v is positive, then the angle formed by the
vectors is acute.
If u ∙ v < 0, that is, u ∙ v is negative, then the angle formed by the
vectors is obtuse.
If u ∙ v = 0, that is, u ∙ v is zero, then the angle formed by the vectors
is 90 degrees (or 𝜋⁄2 radians). In this case, the vectors are
perpendicular to one another. Two vectors that have this property are
said to be orthogonal.
Summarizing this, we see that the dot product measures how similar
two vectors are, or, how well they travel together. In other words, if
they are parallel (i.e. traveling in the same direction), the dot product
will be as big as possible (either negatively big or positively big), and
if the vectors are perpendicular (and so don’t travel well together at
all), the dot product will be zero.
Scalar Products in Chemical Context
Scalar product arise in a number of important areas in chemistry. For
example, they are involved in :
 Determining the energy, W, of a molecular electric or
magnetic dipole interacting with an electric or magnetic field, W =
−µ𝑒  𝐸, or W = −µ𝑚  𝐻, respectively.
 Evaluating the consequences of the intermolecular dipole-
interactions in crystalline substances.
 Crystallography where the scalar triple product is used to
evaluate the volume of a crystallographic unit cell.
2. The Cross Product
The cross product of u and v is defined and best memorized as the
expansion of a 3 by 3 determinant :
𝐢 𝐣 𝐤 𝑢 𝑢3 𝑢1 𝑢3 𝑢1 𝑢2
𝐮 × 𝐯 = |𝑢1 𝑢2 𝑢3 | = |𝑣2 𝑣3 | 𝐢 − |𝑣1 𝑣3 | 𝐣 + |𝑣1 𝑣2 |k
2
𝑣1 𝑣2 𝑣3
The cross product of u and v is a vector, with the property that it is
orthogonal to the two vectors u and v. Thus, if we take the dot product of u × v with
u and then u × v with v, we get zero both times.
This check always be perfomed to ensure that the cross product is
correct.

18
Example : Find u × v, where u = (3,-4,1) and v = (5,2,-6)
Solution : We have
𝐢 𝐣 𝐤
−4 1 3 1 3 −4
u × v = |3 −4 1 | = | |i − | |j− ⌈ ⌉k
2 −6 5 −6 5 2
5 2 −6
= 22i – (−23)𝐣 + 26𝐤, or {22,23,26}
Now we check
(u × v)  u = {22,23,26}  {3,-4,1}
= (22) (3) + (23) (-4) + (26) (1) = 66 – 92 + 26 = 0
(u × v)  v = {22, 23, 26}  {5,2,-6}
= (22) (5) + (23) (2) + (26) (-6) = 110 + 46 -156 = 0
Since both cases produce 0, we are confident that the cross product is correct.

 Some Properties of The Cross Product

The cross product of two vector u and v has the following properties,
such as:
1. Reversing the order of u and v results in a negated cross product.
That is, v × u = - (u × v)
2. The magnitude of the cross product is |𝐮 × 𝐯| = |𝐮||𝐯| sin 𝜃. This
is equal to the area of the parallelogram formed by u and v. Half
of this value is the ares of a triangle formed by u and v.
3. if u × v = 0 (the zero vector), the u and v are parallel vectors.
Vector Products in Chemical Context
Vector products arise when :
 Working with the angular momentum,  (a vectoe
property), associated with the circular motion of a particle of
mass, m, moving under a constant potential about a fixed point
with velocity and position described by the vectors,
𝑉𝒙 𝑥
𝑉
v= ( 𝒚 ) ; x = (𝑦)
𝑉𝒛 𝑧

In this instance, the angular moment  = r × mv = r × p

𝑚𝑣𝑥
𝑚𝑣
𝑝 = ( 𝑦)
𝑚𝑣𝑧

19
 is the linear momentum. Such model systems have relevance
when considering the orbital motion of an electron about a
nucleus in an atom or about the internuclear axis in a linear
molecule.

2.2. The Application of Vectors in Chemical context

(i) Consider the planar complex ion Co (CN)2−
4 , shown schematically in figure below.

The central Co lies at the origin, and the four CN − ligands lie on the 𝑥 − or 𝑦 −
𝑎𝑥𝑖𝑠; R is the Co-C interatomic distance

a. Indentify the unit vectors directed toward each other of the four CN − ligands.
b. Give the forms of the four vectors, directed from Co to each C atom.
c. Find the vectors specifying one of the shortest and one of the longest C – C distances in
term of R
Solution :

̂− 𝒊̂, 𝒋̂
a. 𝒊̂, −𝒋,
b. 𝑅𝒊̂, −𝑅𝒋̂, −𝑅𝒊̂, 𝑅𝒋̂
c. Shortest : e.g 𝑟 = 𝑅𝒊̂ − 𝑅𝒋̂
|𝑟| = |𝑅𝒊̂ − 𝑅𝒋̂| = √𝑅 2 + 𝑅 2 = √2𝑅
Longest : e.g 𝑝 = −𝑅𝒊̂ + −𝑅𝒊̂ = −2𝑅𝒊̂; |𝑝| = |−2𝑅𝒊̂| = 2𝑅

2−
(ii) The complex ion CoCl adopts a tetrahedral shape, in which the Co lies at the
4
centre of a cube of side 2a, and the Cl− species are located on alterbate cube vertices;
the Co-Cl interatomic distance is taken as R. the coordinate axes are chosen to pass
through the centres of opposite pairs of cube faces,with the Co lying at the origin, as
shown in figure 
20
 a. Given that the coordinates of the four Cl- ligands are
(𝑎, −𝑎, −𝑎), (−𝑎, 𝑎, −𝑎), (𝑎, 𝑎, 𝑎) 𝑎𝑛𝑑 (−𝑎, −𝑎, 𝑎) write down the algebraic of the four
vectors, 𝑟1 , 𝑟2 , 𝑟3 and 𝑟4 .
b. Find the magnitude of any one of the Co-Cl vectors, and hence express a in terms of R
c. Use the triangle rule shown in figure (a) to find a vectors associated with the inter-ligand
distance, and hence find its magnitude in terms of R
Solution :
a. 𝑟1 = 𝑎𝒊 − 𝑎𝒋 − 𝑎𝒌 ; 𝑟2 = −𝑎𝒊 + 𝑎𝒋 − 𝑎𝒌
̂ ; 𝑟4 = −𝑎𝒊̂ − 𝑎𝒋̂ + 𝑎𝒌
𝑟3 = 𝑎𝒊̂ + 𝑎𝒋̂ + 𝑎𝒌 ̂
𝑅
b. |𝑟3 | = √3𝑎2 = √3𝑎  𝑅 = √3𝑎  𝑎 =
√3

̂ ) − (−𝑎𝒊̂ + 𝑎𝒋̂ − 𝑎𝒌
c. 𝑟3 − 𝑟2 = (𝑎𝒊̂ + 𝑎𝒋̂ + 𝑎𝒌 ̂ ) = 2𝑎𝒊̂ + 2𝑎𝒌
̂

√8𝑅 2√2𝑅
|𝑟3 − 𝑟2 | = √(2𝑎)2 + (2𝑎)2 = √8𝑎2 = √8𝑎 = =
√3 √3

21
2.3. Complex Number
 Imaginary Numbers
Consider the equation x2 + 1 = 0 .............................................................(i) .
This can be written as x2 = -1
or x = ±√−1
But there is no real numbers which satisfy x2 = -1. In other words, we can say that there os no real
numbers whose square is -1. In order to solve such equations, let us imagine that there exist a
number “i” which equal to √−1.
In 1748, a great mathematician, L. Euler named a number “i” as Iota whose square is √−1.
This Iota or “i” is defined as imaginary unit. With the introduction of the new symbol symbol ‘i”.
We can interpret the square root of a negative number as a product of a real number with i.
Therefore, we can denote the solution of (i) as x = ± i
Thus, -4 = 4 (-1)
 √−4 = √(−1) (4) = √i2 22 = 2i

So we have, √−4 = 2i, √−7= √−7i

 Integral Powers of i
i = √−1, i2 = −1, i3 = i2 i = −i, i4 = i2 i2 = 1.
To compute in for n > 4, we divide n by 4 and write it in the form n = 4m + r, where r is
quotient and r is reminder (0  r  4)
Hence = i4m + r =i4m + ir = ir
For example i39 = i4 × 9+ 3= i3 = -1
And (i)-435 = i -4(108)+3 = i (-4 × 108) + i3
= i-3 = 1
 Complex Number
A number which can be written in the form a + ib, where a, b are real numbers and i = −1 is
called a complex number. If z = a + ib is the complex number, then a and b are called real and
imaginary parts, respectively, of the complex number and written as Re (z) = a, Im (z) = b. Order
relations “greater than” and “less than” are not defined for complex numbers. If the imaginary part
of a complex number is zero, then the complex number is known as purely real number and if real
part is zero, then it is called purely imaginary number, for example, 2 is a purely real number
because its imaginary part is zero and 3i is a purely imaginary number because its real part is zero.

22
 Basic Algebraic Operation on Complex Numbers:
There are four algebraic operations on complex numbers.
(i) Addition of complecx number is defines by separately adding real and
imaginary parts, so :
If Z1 = a1 + b1 i and Z2 = a2 + b2i, then
Z1 +Z2 = (a1+ b1i) + (a2 + b2 i)
= (a1 + a2) + i(b1 + b2)
Example 1 : Add and subtract the numbers 3 + 4i and 2 – 7i.
Solution :
Addition : (3 + 4i) + (2 – 7i) = (3 + 2) + i(4 – 7) = 5 – 3i
Subtraction : (3 + 4i) – (2 – 7i) = (3 – 2) + i(4 + 7) = 1 + 11i
Example 2 : Add the numbers −5 + 6i and 2 − 11i
Solution :(−5 + 6i) + (2 − 11i)=(−5 + 2) + i (6 − 11) =
−3 − 5𝑖
Example 3 : Substract the numbers 2 + 3i and 4 + 2i
Solution :(2 + 3i) − (4 + 2i) = (2 − 4) + i(3 + 2) = −2 + 5i

(ii) Multiplication:is straightforward provided you remember that

𝑖 2 = −1
Z1 Z2 = (a1+ b1i) . (a2 + b2 i)
= a1 a2 + b1b2i + a1b2i + b1a2i
Example 1 : Find the product of the complex numbers: 3 + 4i and
2 – 7i.
Solution : (3 + 4i) (2 – 7i) = 6 – 21i + 8i – 28i2 = 6 + 28 – 13i
= 34 – 13i
Example 2 : Multiply the numbers (4 + 3i) (7 + 2i)
Solution : (4 + 3i) (7 + 2i) = 28 + 8i + 21i + 6i2 = 22 + 29i
Example 3 : Find the product of the complex numbers
(2 − 1i) (3 + 10i)
Solution : (2 − 1i) (3 + 10i) = 6 + 20i − 3i − 10i2
= 16 + 17i
Example 4 : Multiply the numbers (5 + 7i)(5 − 7i)
Solution : (5 + 7i)(5 − 7i) = 25 − 35i + 35i − 49i2 = 74
Example 5 : Multiply the numbers (−7i  12i) = −84i2 = 84

23
 (iv) Division:
z1 a +b i
= a1 + b1 i
z2 2 2

Multiply Numerator and denominator by the number a2 – b2i in order to

make the denominator real.
z1 a𝟏 + b𝟏 i a −b i
= × a2 − b2i
z2 a2 + b2 i 2 2

(a1 a2 + b1 b2 ) + i(b1 a2 − a1 b2 )
= 2 2
a +b
2 2

Generally result will be expressed in the form a + ib

Example 1 : Divide 3 + 4i by 2 – 7i.
3+4i 3+4i 2+7i
Solution : = 2−7i × 2+7i
2−7i
6 + 28i2 + i(21 + 8)
= 4 + 49
–22 + 29i −22 29
= = + i
53 53 53

Example 2 : Divide 4 + 7𝑖 by 2 + 5𝑖
4+7𝑖 4+7𝑖 2−5𝑖
Solution : 2+5𝑖 = ×
2+5𝑖 2−5𝑖
8−20i+14i−35i2
= 4+25
8−6i+35 43−6i 43 6
= = = − i
29 29 29 29

 Conjugate of a complex number:

Two complex numbers are called the conjugates of each other if their real
parts are equal and their imaginary parts differ only in sign. If Z = a + bi, the
complex number a – bi is called the conjugate of Z. it is denoted by 𝑧
i.e., z = a + bi = a – bi
Theorem If Z1 and Z2 are complex number, then :
(i) z1 + z2 = z1 + z2
(ii) z1 . z2 = z1 . z2
z1 z1
(iii) z2 = z2

 Graphical Representation:
Since a complex number Z = a + ib can also be represented by an ordered
pair (a, b), each point in the plane can be viewed as the graph of a complex number.
Thus, the graph of the complex number (a,b) or a + ib, is a shown in Fig. Since the
real part a of a + ib taken as the x-coordinate of P, in this context the x-axis is called

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the real axis. Similarly, since the imaginary part b of a + ib is taken as y-coordinate
of P, the y-axis is called the imaginary axis.
A plane on which complex numbers are thus represented is often called a
complex plane. It is also sometimes called an Argand or Gauss Plane, after the
French Mathematician Jean Robert Argand and the great German Mathemation Carl
Friedrich Gauss.

 Modulus of a Complex Number:

The Modulus or the absolute value of the complex number Z = a + ib is
denoted by r, |Z| or |a + ib| and is given by,
r = |Z| = |a + ib| = √a2 + b2
Thus the modulus |a + ib| is just the distance from the origin to the point (a,b)
Example : Find The modulus of (3, – 5) and – 7 – i
Solution : |(3, - 5)| = |3 – 5i| = √32 + 52 = 9 + 25 = 34
And |-7 – i| = √(7)2 + (−1)2 = 49 + 1 = 50
 Polar form of a complex number

In the fig. 2, we join the point P with the origin, we obtain the line r and the
angle . Then the numbers or order pair ( r,  ) are called the polar coordinates of the
point P to distinguish them from the rectangular coordinates (x, y). We call r the
absolute value or modulus of z and , the angle from the positive real axis to this

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line, as the argument or amplitude of z and is denoted by arg z i.e.,  = arg z. By use
of Pythagorean theorem we have

Cos  = ar , Sin = br
a = r Cos  , b = r Sin 
r = |𝑧| = √𝑎2 + 𝑏 2 ; r>0
𝑏
and, tan  = 𝑎
𝑏
 = arg Z = tan –1 𝑎

Therefore, the complex number

Z = a + ib
= r Cos  + ir Sin 
Z = r (Cos  + i Sin )……………..(1)
This is sometimes written as Z = r Cis  . The right hand side of equation (1) is
called the Trigonometric or polar form of Z. The arg Z has any one of an infinite
number of real values differing by integral multiple 2kπ, where k = 0, ± 1, ± 2,..The
values satisfying the relation. π<  < π is called the principle value of the arg Z,
denoted by Arg. Z. Thus arg Z = Arg Z + 2 kπ.

Important note : If you are expressing a + ib in its polar form, where a and b
𝑏
are both positive, then the formula  = tan−1 𝑎 is quite sufficient. But in other cases

you need to think about the position of a +bi in the Argand diagram.

Example :
Write 𝑧 = −1 − 𝑖 in polar form
Solution :
Now 𝑧 = 𝑎 + 𝑏𝑖 where 𝑎 = 1 and 𝑏 = −1 and in polar form the modulus of 𝑧 = |𝑧|
5𝜋 3𝜋
= 𝑟 = √12 + 12 = √2 and the argument is (or 225) : its principal value is − .
4 4
−3 𝑏 𝜋
Hence 𝑧 = [√2, ] in polar coordinates. (The formula tan−1 𝑎 would have given 4 .)
4

Then we get the polar form

𝜋 𝜋
−1 − 𝑖 = √2 (cos 4 + 𝑖 sin 4 )

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2.3.1. Application of Complex Number in Chemical reactions
Quantum mechanics is the basis behind all chemistry and imaginary numbers play a considerable
role in Quantum mechanics. Time evolution of the states are governed by Time Dependent
Schrodinger Equation:
𝜕𝜑 (𝑥, 𝑡) ℎ2 𝜕 2 𝜑 (𝑥, 𝑡)
𝑖ℎ =− + 𝑉 (𝑥)𝜑 (𝑥, 𝑡)
𝜕𝑡 2𝑚 𝜕𝑥 2

Any attempt to describe time dependent behavior (spectroscopic transitions etc) need imaginary
numbers. Spectroscopic transitions etc follow from using time dependent perturbation theory and
this equation and in fact, this is how you get selection rules.
Additionally, for solving the Wave Equation for a central potential (like an H atom) you will get
solutions which are complex exponentials in ϕϕ, although in principle you can make them purely
real by taking linear combinations (as long as no one is turning a strong B field along one direction,
that is-lifting the degeneracies). In short- to do theoretical chemistry, you need Quantum
Mechanics, which needs imaginary numbers.

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