Fundamentals of Chemistry

(CHEM F101)

Semester I, 2025-26
Lecture-1
05/08/2025
 Important Points to be Noted
1. Handout and Lecture slides will be available in LMS

[Link]

2. Course instructors, tutorial sections, chamber

consultancy hour etc. : Check Handout and timetable

3. Course is 300 marks: 200 marks Theory and 100 marks

Laboratory.

4. Notices related to the course will be displayed on LMS

only
Course No. : CHEM F101
Course Title : Fundamentals of Chemistry
Instructor-in-Charge : Anupam Bhattacharya

Instructors (Theory) : Anupam Bhattacharya, Durba Roy, R. Krishnan, Tanmay Chatterjee,

Manab Chakravarty, Himanshu Aggarwal, Satya Narayan Guin, Pralok
Kumar Samanta, Suryoday Prodhan.

Instructors (Lab) : Arijit Mukherjee, Abhishek Saha, Balaji Gopalan, Durba Roy, R.
Krishnan, Manab Chakravarty, Sounak Roy, Sourav Bag, Jayanty
Subbalakshmi, Tanmay Chatterjee, Suryoday Pradhan
Textbooks:
T1: P. Atkins & J. De Paula, Elements of Physical Chemistry, Fifth/International edition, Oxford
University Press.
T2: J. D. Lee, Concise Inorganic Chemistry, 5th Edition, Blackwell Science, Oxford, 1996
T3: T. W. Graham Solomons, Craig B. Fryhle, and Snyder Scott A., Organic Chemistry, Global Edition,
John Wiley & Sons, Inc., New York, 2011.

Reference books
R1: R T Morrison, R N Boyd & S K Bhattacharjee, Organic Chemistry, 7th Ed, Pearson Education in
South Asia, 2010.
R2: J. E. Huheey, E. A. Keiter, R. L. Keiter & O. K. Medhi, Inorganic Chemistry, Principles of Structure
& Reactivity, 4th Ed, Pearson Education in South Asia, 2011.
CHEM F101: Fundamentals of Chemistry

Ø Quantum theory and atomic structure

Ø Spectroscopy
Ø Coordination chemistry
Ø Bioinorganic chemistry
Ø Stereochemistry
Ø Conformations
Ø Pericyclic reactions
Ø Practical Experimental Labs
4 BITS Pilani, Hyderabad Campus
CHEM F101: Fundamentals of Chemistry

Quantum theory and atomic structure

Ø Trajectories indeterminate due to uncertainty principle,
Ø Wavefunction defines state,
Ø Schrodinger equation,
Ø Eigenvalue equations,
Ø Boundary conditions and quantization of energy levels, nodes,
classical limit
Ø Hydrogenic orbitals naming based on cartesian expressions,
Ø Probability density versus probability distribution function,
Ø Radial and angular nodes,
Ø Electronic spectra of H-atom
5 BITS Pilani, Hyderabad Campus
CHEM F101: Fundamentals of Chemistry

Spectroscopy
Electronic Spectroscopy:
Absorption-emission spectroscopy – general principles,
Beer-Lambert’s law, selection rules, fluorescence and
phosphorescence
Vibrational Spectroscopy:
Fundamental vibrational frequency – dependence on
force constant and reduced mass, bond-strength and
force-constant, applications
Nuclear Magnetic Resonance Spectroscopy:
Principles of NMR, Shielding and Chemical Shift, Fine
Structure, Spin-relaxation and applications
6 BITS Pilani, Hyderabad Campus
CHEM F101: Fundamentals of Chemistry

Coordination chemistry
ØCoordination compounds
ØCrystal field theory
ØInterpretation of Jahn-Teller distortion
ØStudying crystal field theory to understand
square planar and tetrahedral complexes

7 BITS Pilani, Hyderabad Campus

CHEM F101: Fundamentals of Chemistry

Bioinorganic chemistry
ØMetalloporphyrins
ØHemoglobin and Myoglobin: Dioxygen
binding, transport and storage;
Photosynthesis: Chlorophyll
ØMedical applications

8 BITS Pilani, Hyderabad Campus

CHEM F101: Fundamentals of Chemistry

Stereochemistry
ØProjection formulae,
ØAbsolute configurations,
ØApplication of stereochemistry on basic
organic reaction mechanisms (E1, E2,
addition reactions)
Conformations
Conformational analysis of acyclic and cyclic
molecules and its impact on their stability and
reactivity.
9 BITS Pilani, Hyderabad Campus
CHEM F101: Fundamentals of Chemistry

Pericyclic reactions
Fundamental principles, mechanisms, and
applications of pericyclic and cycloaddition
reactions in organic chemistry.

10 BITS Pilani, Hyderabad Campus

 CHEM F101: Fundamentals of Chemistry

Ø Practical Experimental Labs

1st Cycle
Lab 1 Synthesis and recrystallization of dibenzalacetone
Lab 2 Determination of the concentration equilibrium constant (Kc) of the reaction
Lab 3 Dissociation constant of a weak electrolyte by conductometry
Lab 4 Preparation of potassium bis(oxalate)-Cu(II) complex and preparation of iron
acetyl acetonate complex
Lab 5 Synthesis of glucosazone
2nd Cycle
Lab 6 Determination of the activation energy of the hydrogen peroxide - potassium
iodide clock
reaction
Lab 7 Determination of pH curve of an acid-base titration
Lab 8 Estimation of copper by Iodometry
Lab 9 Determination of the unknown strengths of a strong and a weak acid solution by
conductometric titration
11 BITS Pilani, Hyderabad Campus
 Make-up Policy

Make-up(s) will be granted only for genuine reasons.

NC will be awarded to a student if any of the following

conditions is not fulfilled:

(a) Scoring less than 25% of the total marks.

(b) If the student is not writing the midsem and the
comprehensive examinations.
(c) If a student performs fewer than three experiments in the
laboratory.
 Postulates of Classical Mechanics
Ø Classical Physics (18th and 19th Centuries)
Newton

Ø Motions of material bodies: Newton’s Laws

Ø Deterministic equations of motion

Isaac Newton
1643-1727
Suitable for Macroscopic Objects
Physical systems possess energy, which is conserved as it interconverts
between different forms. In classical physics there is no restriction on the
value of the energy of systems. Classical systems follow precise
mathematical laws, so that if we have enough information about their
present state, we can predict as accurately as we like what will happen to
them in the future — STRICTLY DETERMINATE
 Assumptions of Classical Physics
1. Any type of motion can be excited to a state of
arbitrary energy: Oscillation of a pendulum

14
 Assumptions of Classical Physics
2. A particle travels in a trajectory or path with a
precise position and momentum at each instant

15
 Assumptions of Classical Physics
3. ‘Waves’ and ‘Particles’ are distinct concepts

Excellent assumptions at the macroscopic level,

but break down at the microscopic level:

ü When small energy transfers are involved

ü For objects with very small mass, e.g.

subatomic particles
16
Gaps in Classical Mechanics: Birth of Quantum Theory
Ø Mysterious nature of atoms and molecules : the
need to understand detailed structure of atom and
molecules
Ø The ways in which radiation interacts with matter

ü Dalton : Concept of atoms (1803)

ü Avogadro: Concept of molecules (1811)
ü Thomson: Concept of electron (1897)
A radically new theory was required : QUANTUM THEORY
~1900-1920
Experiments that led to the birth of Quantum Concepts

Ø Black body radiation

Ø Line spectra of atoms
Ø Photoelectric effect
Ø Diffraction
Quantum Theory/Mechanics

•Describes rules that apply to small particles in atoms

and molecules
•Non-deterministic, Probabilistic
 Black Body Radiation

ØA black body is a perfect absorber

or emitter of radiation
ØThe distribution of absorbed or
emitted radiation depends only on
the absolute temperature, not on
the black body material
Graphite/Lamp black/Platinum black

96-98 % approximation to a black body

Inability of classical physics to explain the observed frequency
distribution of radiant energy emitted by a hot object.
Black Body Radiation: Failure of Classical Physics
Radiation viewed as a
collection of harmonic
oscillators.

Rayleigh-Jeans: Energy
density r(l)dl is the energy
per unit volume associated
with radiation of wavelength
ρ λ dλ = 8πk ) T⁄λ+ dλ from l to l+dl, and is
proportional to the emittance
ultraviolet catastrophe
 Black Body Radiation: Planck’s Formula

Quantization

r (l) = 8p hc / {l5(ehc/lkT - 1)}

Planck expression reproduces the experimental distribution

with h = 6.626 x 10 –34 J s
Line Spectra of Atoms
 Line Spectra of Atoms

Transitions between quantized energy levels of atom or

molecule, with absorption or emission of photon accounts
for line spectra.
 Line Spectra of Atoms

The frequencies (in wave numbers) at which the

lines occur in the spectrum of hydrogen are given
by the formula
"! = 1/l = RH(1/n12 - 1/n22)
where RH = 109677 cm-1 is the Rydberg constant, n1
and n2 > n1 are positive integers, the various series
corresponding to Lyman (n1 = 1), Balmer (n1 = 2),
Paschen (n1 = 3), Brackett (n1 = 4), Pfund (n1 = 5).
 Photoelectric Effect
Emission of electrons from ü No electrons are ejected, regardless of the
metals when exposed to intensity of the radiation, unless the frequency
(ultraviolet) radiation. exceeds a threshold value characteristic of the
metal.
ü The kinetic energy of the ejected electrons
varies linearly with the frequency of the
incident radiation but is independent of its
intensity.
ü Even at low light intensities, electrons are
ejected immediately if the frequency is above
the threshold value.
Contradicts wave theory of radiation
Einstein suggested that the energy in light is concentrated in
discrete units called light quanta, but we now use the word
photon, coined by the chemist G. N. Lewis in 1922 to describe
them. E = hν
 Photoelectric Effect & Diffraction: Wave-Matter Duality
E" = hν − ϕ = h(ν − ν) ) Davisson-Germer Experiment
Quanta/Photon: Particle Nature

1920-25

Wave Nature of Electrons

X-rays Electrons A beam of high energy electrons was directed on a
single crystal of nickel, and the scattered electrons
showed a variation in intensity with angle that
corresponded exactly to the pattern that would be
expected from a classical wave diffraction of X-rays.
[Link] Elements of Physical Chemistry, 5th Ed, Pg. 273
Wave-Particle Duality, Schrodinger Equation

Louis de Broglie Erwin Schrodinger

 Wave-Particle Duality: Matter waves
How to combine both aspects of matter into a single description?

Louis de Broglie (1924): Just as light exhibits both ‘wave-

like’ (diffraction), and ‘particle-like’ (photoelectric effect)
characteristics, so should all material objects.
de Broglie suggested that this is more generally true for all
material objects. A particle moving with linear momentum
p=mv, has an associated ‘matter-wave’ of wavelength

! = ℎ#%
Macroscopic objects are so massive that the de
Broglie wavelengths are immeasurably small.
 Some examples..
Problem-1: What is the wavelength of an electron if it travels with a
6 eV kinetic energy?

p = (2mE)½ = (2 x 9.11 x 10-31 kg x 6 x 1.602 x 10-19 kg m2 s-2)½ = 1.3 x 10-24 kg m s-1

λ= h/p = (6.626 x 10-34 J s)/(1.3 x 10-24 kg m s-1)
λ = 5.09 x 10-10 m

Problem-2: An object of mass 50 kg is moving with a velocity

396 x 105 m/s. Can the wavelength be measurably considered?

p = m.v = 50 x 396 x 105 m/s = 1.98 x 109 kg.m/s

λ = h/p = 6.626 x 10-34/1.98 x 109 = 3.3 x 10-43 m
The value of wavelength cannot be measurably considered.
vCalculate the wavelength of an electron in a 10-MeV
particle accelerator. (1 MeV = 106 eV)

• Solution: We need to find the momentum, p, from the

energy, E.

• The relationship between them is p = (2mE)½ = (2 x

9.11 x 10-31 kg x10 x106 x 1.602 x 10-19 kg m2 s-2)½ = 1.7 x
10-21 kg m s-1

• λ= h/p = (6.626 x 10-34 J s)/(1.7 x 10-21 kg m s-1)

• λ = 3.9 x 10-13 m = 0.39 pm
Wave – particle duality : Some two-
slit experiments
Experiment with Bullets:
Arrive in identical discrete lumps – particles
Distribution with both slits open is the sum of that
with slit 1 alone open and that with slit 2 alone
open – No interference.
Experiment with simultaneous water waves fronts:
Intensity can be varied by changing amplitude of
source (Intensity proportional to square of
amplitude) – no lumps.
Amplitudes may add or subtract– there is either
constructive or destructive interference - waves
 Two-slit experiment with microscopic particle like
electrons/photons etc.

Arrive in identical lumps – particles, but

distribution shows interference – wave behaviour.
The largest object for which quantum-mechanical wave-
like properties have been directly observed in diffraction.
The structure of C60, comprised of 12 5-carbon
C60 fullerene’s wave manifestation: rings and 20 6-carbon rings, has an average
diameter (nucleus to nucleus ) of 0.71(~ 1)
Large, massive object nm based on theoretical calculations and electron
microscopy
(diameter is in nanometer range)

de Broglie wavelength is 2.5 pm i.e. about 400 times

smaller than diameter.
•Journal: Nature 401: 680-682, 1999

Buckminsterfullerene
Bucky ball
 Wave Function and Probability
de Broglie’s picture: A particle is spread
through space like a wave. To describe
this distribution, the concept of a
wavefunction, ψ (psi), in place of the
precise path is introduced. A
To a very crude first ‘wavefunction’ is the modern term for de
approximation, we can visualize
Broglie’s ‘matter wave’.
a wavefunction as a blurred
version of a conventional
trajectory.

In classical mechanics, a particle may have a well-defined trajectory, with a precisely

specified position and momentum at each instant. According to quantum mechanics,
a particle cannot have a precise trajectory; instead, there is only a probability that
it may be found at a specific location at any instant. The wavefunction that determines
its probability distribution is a kind of blurred version of the trajectory. Here, the
wavefunction is represented by areas of shading: the darker the area, the greater
the probability of finding the particle there.
Elements of Physical Chemistry, 5th Ed, Pg. 274
 Wave Function and Probability
A classical wave is characterized by wavelength λ &
amplitude A. Intensity of light is proportional to A2
Matter wave : Quantum mechanical wave
Amplitude of the Quantum mechanical wave is called
Wavefunction, Ψ
Contains all the dynamical information about the particle

• Mathematical tool in Quantum Mechanics

• It is a function typically of space or momentum or spin
and possibly of time
• The laws of quantum mechanics describe how the wave
function evolves over time.
 Probability: The Born Interpretation
The state of a quantum mechanical system is completely specified by its
wavefunction ! (#, %, &, ')
The probability of finding a particle in a small region of space of
volume δV is proportional to ) * +,, where ) is the value of the
wavefunction in the volume element +,.
(more generally |) * | +, since Y may be complex)
) * +, represents the probability that the particle is located in the
infinitesimal element of volume dV about the given point, at time t.

./012134356 [Link] ) *
 Time Evolution or Dynamics

The dynamics or time-variation of the position of a

general quantum mechanical system is described
by the variation in Y with time, i.e., through an
equation for ¶Y/¶t, and not in terms of a precisely
defined trajectory or path.

Austrian physicist Erwin Schrödinger (1926)

Schrodinger Equation:

Second order linear partial differential equation of motion

(time independent form)
 Stationary States

In many situations of interest in chemistry, one is

concerned with stationary states, in which the
probability distribution is independent of time.
For such states,
ψ2 dV
represents the time-independent probability
distribution, where the wavefunction ψ(x,y,z) is a
function of the spatial coordinates alone.
 y2 is physically significant
The probability density implied by the square of the wavefunction is depicted by the
density of shading
Wavefunction for particle with precisely defined
position
 Momentum-Position Uncertainty
Superposition of a large
number of waves of varied
wavelengths yields a localized
standing wave – ‘particle’
Momentum not precisely
defined.

Zero uncertainty in position &

Infinite uncertainty in momentum

For a progressive wave: Definite wavelength ÞDefinite

momentum but since wave is spread out everywhere, no
information about position.
 Heisenberg Uncertainty Principle
Statement of Position-Momentum Uncertainty Principle
It is impossible to specify simultaneously, with arbitrary
precision, both the momentum and the position of a particle.
There are many other pairs of observables with simultaneous
values that are restricted in a similar way, e.g. energy-time,
two components of angular momentum etc.
The quantity ∆"# is the ‘uncertainty’ in the
linear momentum along x direction and Δ% is
the uncertainty in position along x direction
(which is proportional to the width of the peak)

∆"# Δ% ≥ ℏ'2

Elements of Physical Chemistry, 5th Ed, Pg. 278

1. What is the minimum uncertainty in the location of an electron which
is travelling with a speed of 900 m/s and the uncertainty in its
momentum is known to be 0.01 % of its speed?
Dx . mDv ³ h/4p
Dx . m.(0.01% of 900) ³ h/4p
Dx = h/4p x 9.1 x 10-31 kg x 0.09 = 6.44 x 10-5 m