15CHY100 – CHEMISTRY

LECTURE-1
Why do you need to Study Chemistry
in a B.Tech. Course?
Chemistry the Fundamental Science : the
fundamental importance

Computers (one core)- Numerous Applications

B.Tech + MBA= Employability = comfortable life style

Understanding Basic Science= Better Control of

Technology
 UNITS FOR STUDY
No of Modules: 3
• Module:1
Unit :1
Chemical Bonding (Electronic Configuration, Types of
Chemical bond, Theories of Chemical bond)
MO diagrams and Theories
Metallic Bond
Hydrogen bonding and vander Waals forces.
Unit: 2
Stochiometry
 UNITS FOR STUDY
• Module:2
Unit: 3
Thermodynamics
Unit: 4
Chemical Kinetics
• Module:3
Unit: 5
Electrochemistry
Unit: 6
Photochemistry
 WHAT IS MEANT BY?
• Atoms
• Atomic Orbital
• Quantum Numbers
• Electronic Configuration
• Atomic Number
• Mass Number
 Atoms
• Atoms are made up sub atomic particles electron,
proton and neutron
• Atoms are made up of a core called nucleus, which
contain neutrons and protons. The electrons are
dispersed throughout the remaining space.

• Atomic Number: number of protons/ electrons in

the atomic nucleus/ dispersed (total Positive/
negative Charge)
• Mass Number: total number of protons and
neutrons(Nucleons) in an atomic nucleus.
 Highlights
Atom: the smallest part of matter.

Atomic orbitals

s, p, d, f atomic orbitals -degeneracy

Quantum numbers: Principal, Azimuthal,

Magnetic and Spin

Quantum numbers and atomic orbitals

Electronic configuration: Aufbau principle,
Pauli Exclusion Principle, Hund’s rule of
maximum multiplicity

Electronic Configuration of first 30 elements

Cr (3d44s2)----(3d54s1) & Cu (3d94s2)- Special

case-Stability-Half filled and completely filled
Atomic Orbitals
 ORBITS AND ORBITALS
Orbit
In our solar system, the paths on which the planets revolve
are called orbits. These are strange elliptical paths which
are fixed for every single planet, and these planets move on
this path with their angular velocities and central
acceleration. The same is the case with atoms. Orbits are
the fixed paths around which electrons revolve around the
nucleus of the atom following the same principle as that of
the planets.
• An orbit is a planar or two-dimensional circular pathway.

• The maximum number of electrons in a particular orbit is

2n2 .
• An orbit follows Newton’s laws of motion. In
atomic theory, an orbit is created because of
the pull of the negatively charged electron to
the positively charged nucleus while having
the same angular velocity. But as Heisenberg’s
Uncertainty Principle proves it as uncertain,
we cannot easily determine the exact orbit of
an electron.
Orbital
According to Heisenberg’s Uncertainty Principle:
• One can never know with perfect accuracy both of
those two important factors which determine the
movement of one of the smallest particles
(electrons)—its position and its velocity. It is
impossible to determine accurately both the position
and the direction and speed of a particle or electron
at the same instant.
• So an orbital is an uncertain area inside an atom
within which the probability to find an electron(s) is
highest.
• It represents the three-dimensional space around
the nucleus.
• Orbitals occur in various shapes and capacities in
accordance with the element and its atomic
number.
• They are categorized as s, p, d and f type orbital.
• The maximum capacities of these orbital are:
s orbital – 2 electrons
p orbital – 6 electrons
d orbital – 10 electrons
f orbital – 14 electrons
 What is the electron doing in the orbital?
• an electron is in a particular orbital it will have a
particular definable energy.
• The orbital occupied by the hydrogen electron is called
a 1s orbital. The "1" represents the fact that the orbital
is in the energy level closest to the nucleus. The "s"
tells you about the shape of the orbital. s orbitals are
spherically symmetric around the nucleus - in each
case, like a hollow ball made of rather chunky material
with the nucleus at its centre.
• The orbital on the left is a 2s orbital. This is similar to a
1s orbital except that the region where there is the
greatest chance of finding the electron is further from
the nucleus - this is an orbital at the second energy
level.
• If you look carefully, you will notice that there is
another region of slightly higher electron density
(where the dots are thicker) nearer the nucleus.
("Electron density" is another way of talking
about how likely you are to find an electron at a
particular place.)
• 2s (and 3s, 4s, etc) electrons spend some of their
time closer to the nucleus than you might expect.
The effect of this is to slightly reduce the energy
of electrons in s orbitals. The nearer the nucleus
the electrons get, the lower their energy.
• 3s, 4s (etc) orbitals get progressively further away
from the nucleus.
 p orbitals
• Not all electrons inhabit s orbitals (in fact, very few
electrons live in s orbitals). At the first energy level, the
only orbital available to electrons is the 1s orbital, but at
the second level, as well as a 2s orbital, there are also
orbitals called 2p orbitals.
• A p orbital is rather like 2 identical balloons tied together
at the nucleus. The diagram on the left is a cross-section
through that 3-dimensional region of space. Once again,
the orbital shows where there is a 95% chance of finding a
particular electron.
• Taking chemistry further: If you imagine a horizontal
plane through the nucleus, with one lobe of the orbital
above the plane and the other beneath it, there is a zero
probability of finding the electron on that plane- Nodal
Plane.
• Unlike an s orbital, a p orbital points in a particular
direction - the one drawn points up and down the
page.
• At any one energy level it is possible to have three
absolutely equivalent p orbitals pointing mutually at
right angles to each other. These are arbitrarily given
the symbols px, py and pz. This is simply for
convenience - as the x, y or z direction changes
constantly as the atom tumbles in space.
• The p orbitals at the second energy level are called 2px,
2py and 2pz. There are similar orbitals at subsequent
levels - 3px, 3py, 3pz, 4px, 4py, 4pz and so on.
• All levels except for the first level have p orbitals. At the
higher levels the lobes get more elongated, with the
most likely place to find the electron more distant from
the nucleus.
What are the difference between
ORBITS AND ORBITALS
Summary: ORBITS AND ORBITALS
An orbit is a fixed path around a heavy object on which a lighter
object moves due to gravitational forces or electromagnetic forces
while an orbital is an uncertain area around the nucleus of an atom
in which the probability of finding an electron is maximum.

An orbit exists for any two bodies having some mass whereas an
orbital exists only for an atom and an electron.

• Orbital: An electron inhibits (lives) regions of space called orbitals.

Orbital is an mathematical function describing the probability of
finding an electron around the nucleus.

• A orbital wave function for an electron defined by all three

quantum numbers, n, ℓ, and m.

• Don’t confuse between orbit and orbital

 The dual nature of electron
• 1924- de Brogie- electron as particles and as waves- Dual Character
• Heisenberg Uncertainty Principle: Position and velocity replaced by
probability
• Schrodinger wave equation:
must be continuous, finite and single valued and the probability of
finding an electron at a point x, y, z is , So

Several of these wave functions will satisfy these

condition to the wave equation and each has a corresponding energy E1, E2,
E3 etc.
Each of these wave function is called an orbital.
OR
Each solution of the Schrodinger wave equation is called an atomic orbital
 Some Useful Definitions
Electron density, ψ2
The square of the wave function, ψ2, represents electron
density at any given point.
Nodes
If radial wave function passes through zero those
region are described as radial nodes, or spherical radial
nodes since this describes their shape.

If the angular wave function passes through zero those

regions are described as angular nodes, or nodal
planes in those cases where they are planar. Not all
angular nodes are planar: some are conical, for
instance.
 Wave equation, ψ
An orbital is a mathematical function called a wave
function that describes an electron in an atom.

The wave functions, ψ, of the atomic orbitals can be

expressed as the product of a radial wave
function, R and an angular wave function, Y.
Radial wave functions for a given atom depend only
upon the distance, r from the nucleus.
Angular wave functions depend only upon direction,
and, in effect, radial wave function describe the shape
of an orbital.

ψ = radial function × angular function = R × Y

 Quantum Numbers

• Best tool to describe the orbital

• They completely define the electron in an atom
• It specifies the position of an electron in an atom
• Predict the direction of spin of the electron
• Determines the energy and angular momentum of the
electron
 Principal Quantum Number (n)
o The energy associated with each orbital
o The energy of each orbital increases as its distance from the
nucleus increases
o The set of orbital with the same ‘n’ value are called electron
shell or energy K L M N
n 1 2 3 4
o The number obtained as ‘n’ represents the size of the atom.
o Maximum number of electrons in a shell is given by 2n2
K L M N
n 1 (1s2) 2 =8e- 3= 18e- 4 = 32e-
8e- (1s2, 2p6)

o Maximum number of orbitals in ‘n’ shell = n2

o For hydrogen like atoms the magnitude of energy,
En = -2∏me4/ n2h2
 Azimuthal or subsidiary Quantum Number (l)
o The line spectrum of atoms is observed as a fine spectrum,
consisting of closely packed spectral lines
o In order to explain these sub levels in the electron shells ‘n’ is
not sufficient. i.e. ‘l’ represents sub-shells of the shells
concerned.
o For a given ‘n’, ‘l’ can have values from 0 to (n-1)
l 0 1 2 3
s p d f

s- sharp, p- principal, d-diffuse and f-fundamental –Spectroscopy

terms to describe the lines in an atomic spectra
o As ’l’ value increases the energies of the sub shells increases.
o It describes the shape of the orbital occupied by the electron
 Magnetic Quantum Number (m)
o In a strong magnetic field, the line emission spectrum is
further resolved to still thinner lines. This is because of
splitting of each sub-shell into subshells called orbitals
o m = -l to +l ie. ( 2l+1 values)
o Different values of ‘m’ for a given value of ‘l’ gives us the total
number of different spatial orientations or orbitals.

l 0 1 2 3
m 0 0,+1,-1 0,-2,-1,+1,+2 0,-3,-2,-1,+1,+2,+3
(2l+1)
values
s p d f

o As ’l’ value increases the energies of the sub shells increases.

 Spin Quantum Number (s)
o Spin quantum number was introduced to explain the double
structure obtained for the spectrum of alkali metals.
o When the orbital motion of an electron interacts with the
quantum mechanical spin of that electron, a magnetic field is
produced and we get fine structure. Electrons can spin
around the nucleus and around its own axis. This spin can be
clockwise or anti clock wise.
o s = +1/2 or s= -1/2
o Because of the presence of one electron a doublet is
produced in the fine emission spectra of alkali metals
n (Shell) K L M N
l (Sub shell) s p d f
m (Orbital) 1 3 5 7
Spin (s) +1/2 or -1/2 +1/2 or -1/2 +1/2 or -1/2 +1/2 or -1/2
The set of solutions for the wave equation
1. First solution depends only on the distance “r”
from the nucleus and is same in all directions. This leads to
spherical orbital (s-orbital, l=0,m=0)
2. The second group solutions to the wave equation depends
on both distance and on direction in space (x,y,z) {l=1, m= -
1,0,+1) p orbital, px, py and pz- degenerate orbitals)

3. The third group of solutions to the wave equation depends

on the distance from the nucleus “r” and also on two
directions in space (d-orbital, l=2, m= -2,-1,0,+1,+2)
 Spatial orientations of Atomic Orbitals
1. s- orbital (l=0, m=0)
‘s’ orbital has only one space orientation, the probability of finding
a electron (electron density) in all the directions from the nucleus is
the same.
These are spherically symmetric around the nucleus
As ‘n’ increases, the radius of ‘s’ increases (2s>1s)

The vacant space between 1s and 2s orbital, where the probability

of finding an electron is zero is called a nodal plane.
There are (n-1) nodal surfaces in s orbitals of the nth main energy
level.
• Notice that the amount of electron density
(here represented by the intensity of the blue
color) doesn't depend on direction.
• It does, however, depend on distance from the
center of the atom
2. p- orbital (l=1, m= 0,-1,+1- 3 values)
Three ‘p’ orbitals are present and are perpendicular to each other.
Dumb-bell shape m -1 0 +1
Pz Px py

‘p’ orbitals are directional, which determines the geometry of the

molecules
The two lobes are separated by a plane (Nodal Plane) which contains the
nucleus (Node) and is perpendicular to the orbital axis
In the absence of external magnetic field these orbitals are equivalent in
energy content and are said to be triply degenerate. (external magnetic
field- these split up depending on the value of magnetic quantum
number)
• This figure shows each of the three p orbitals
separately, and then all three together on the
same atom.
• For p orbitals, the amount of electron density, and thus
the probability of finding an electron, depends on both
the distance from the center of the atom and the
direction.
3. d- orbital (l=2, m= 0,-1,-2,+1,+2 - 5 values)
Five ‘d’ orbitals are present , with n=3
Double Dumb-bell shape m -2 -1 0 +1 +2
2
dxy dyz dz dxz dx2-y2

dxy , dyz , dxz orbitals have their greatest electron densities between the
axes, thus their lobes are lying symmetrically between the axes.
dx2-y2 and dz2 orbitals have their electron density in the region along the
axes.
In the absence of external magnetic field these orbitals are equivalent in
energy content and are said to be degenerate.
4. f- orbital (l=3, m= 0,-1,-2, -3,+1,+2, +3 - 7 values)

Seven ‘f’ orbitals are present , with n=4

m -3 -2 -1 0 +1 +2 +3
4fy3 4fxyz 4fy(z2 - y2) 4fz3 4fx(z2 - y2) 4fz(x2 - y2) 4fx3

4fy3

None of the 4f orbitals possess radial nodes.

 f-orbitals
Seven f-orbitals
4fy3 4fx3 4fz3

4fy(z2-x2)

4fx(z2-y2) 4fz(x2-y2)
4fxyz

For each, the copper zones are where the wave functions have negative values and the
gold zones denote positive values.
 Some useful tips
1. Number of electrons in a electron shell or energy level = 2n2
2. Number of orbitals in a ‘n’ subshell = n2
3. Number of angular nodes = l (Azimuthal Quantum Number)
4. Number of radial nodes for np orbital = (n- l -1) or (n-2 for p orbitals)
5. Azimuthal Quantum number, l is = 0 to (n-1)
6. Magnetic quantum number = (2l+1)
7. Effective nuclear charge is the “net positive charge experienced by valence
electrons”, Zeff = Z-S {no of protons(At. No) – no of shielding electrons}
8. ‘s’ orbital is spherical in shape, it shields the electrons from the nucleus more
effectively than ‘p’ orbital which in turn shields more effectively than ‘d’ orbitals.
Therefore, the effective nuclear charge (zeff) experienced by electrons present in
them is d<p<s.
9. The orbitals which belong to the same shell and subshell are called degenrate
orbitals.
10. Energy of the orbitals in a multi electron atom depends upon the values of n and l.
lower the value of (n+l) For an orbital lower is its energy.
11. If two orbitals have same (n+l) values, the orbital with lower value of ‘n’ has the
lower energy.
Questions?