Dr. Madhu Gupta: 2017

Symmetry & Group Theory in Chemistry

UNIT 1

UNIT 1- Symmetry & Group Theory in Chemistry

1.0 – Introduction

1.1 - Objectives

1.2 – Symmetry & group theory

1.2.1 -Symmetry elements

1.2.2 – Symmetry operation

1.2.3 - Group & Subgroups

1.2.4– Relation between orders of a finite group & its subgroups

1.2.5 -Conjugacy relation & classes

1.2.6 – Point symmetry group

1.2.7– Schonflies symbols or notations

1.2.8 -Representation of Group by Matrices

1.2.9 – Character of a Representation

1.2.10 – The Great Orthogonality Theorem & its importance

1.2.11 – Character tables & their use

https://drive.google.com/file/d/0BxSmC2kUk3lpMDJROEdKUlMwMU0/view?usp=sharing

UNIT 2

1.3 - Unifying Principles

1.3.1– Electromagnetic Spectum

1.3.2– Interaction of Electromagnetic spectrum with matter

1.3.3 – Absorption of Radiation

1.3.4 - Emission of Radiatuon

1.3.5- Transmission of Radiation

1.3.6- Reflection of Radiation

1.3.7–Refraction of Radiation

1.3.8–Dispersion of Radiation

1.3.9 – Polarization

1.3.10– Scattering of Radiation

1.3.11 – The Uncertainty relation

1.3.12 – Natural line width & natural line Broadening

1.3.13 – Transition Probability

1.3.14- Result of Time Dependent Perturbation theory

1.3.15 – Transition Moment

1.3.16 – Selection Rules

1.3.17 –Intensity of spectral lines

1.3.18 –Born Oppenheimer Approximation

1.3.19- sum up

1.3.20- check your progress : key

1.3.21 - References

https://drive.google.com/file/d/0BxSmC2kUk3lpMDJROEdKUlMwMU0/view?usp=sharing

UNIT 3

UNIT 3

MICROWAVE AND VIBRATIONAL SPECTROSCOPY

Structure

2.0- Introduction

2.1- Objective

2.2- Microwave spectroscopy

2.2,1 – Classification of molecule

2.2,2 – Rigid rotor model

2.2,3 – Effect of isotopic substitution on the transition frequency

2.2,4 – Non-rigid rotor

2.2,5 – Stark effect

2.2,6 - Nuclear and electron spin interaction

2.2,7 - Application

2.3- Infrared Spectroscopy

2.3,1- Harmonic Oscillator & Vibrational energies of diatomic molecules

2.3,2- Force Constant & Bond strength

2.3,3- Anharmonicity

2.3,4- Morse potential energy diagram

2.3,5-P.Q.R. Branches

2.3,6- Vibration of polyatomic molecules

2.3,7 - Factor affecting the band position & intensities

2.3,8 - Far IR region

2.3,9 - Metal ligand vibrations

2.3,10 - Normal Co-ordinate Analysis

2.4- RAMAN SPECTROSCOPY

2.4,1-Raman Effect

2.4,2- Classical Theory

2.4,3 - Quantum Theory

2.4,4 - Pure Rotational, Vibrational & Rotational- Vibrational Raman Spectra

2.4,5- Mutual Exclusion Principle

2.4,6 - Resonance Raman Spectroscopy

2.4,7 - Coherent anti stokes Raman Spectroscopy

2.5- Let us sum up

2.6 - Check your Progress- The Key

2.7- References

https://drive.google.com/file/d/0BxSmC2kUk3lpRUl3QjVfR18zOG8/view?usp=sharing
UNIT 4

UNIT 4

ELECTRONIC SPECTROSCOPY

STRUCTURE:

3.0	-	Introduction
3.1	-	Objetives
3.2 - ATOMIC SPECTRA
		3.2.1	– Energies of Atomic Orbitals
		3.2.2	-	Vector Representation of Momenta
		3.2.3	-	Vector Coupling
		3.2.4	-	Spectra of Hydrogen atom
		3.2.5	-	Spectra of Alkali metal atoms
3.3		Molecular Spectroscopy
		3.3.1	-	Energy Levels and Molecular Orbitals
		3.3.2	-	Vibrionic Transitions and Vibrational Progression
		3.3.3	- Geometry of the Excited State
		3.3.4	– Frank Condon Principle
		3.3.5	- Electronic spectra of polyatomic molecules
		3.3.6	-	Emission spectra
		3.3.7	-	Radiative & non radioactive decay
		3.3.8	-	Internal Conversion
		3.3. 9	- Spectra of transition metal complexes
		3.3.10 -		Charge transfer spectra
3.4 - PHOTOELECTRON SPECTROSCOPY
		3.4.1 – Basic Principles
		3.4.2	- Photoelectric Effect
		3.4.3	- Ionization Process
		3.4.4 - Koopman’s Theorm
		3.4.5 - Photoelectron spectra of simple molecules
		3.4.6 - ESCA
		3.4.7 - Chemical Information from ESCA
		3.4.8 - Auger electron spectroscopy
3.5 - PHOTOACOUSTIC SPECTROSCOPY
		3.5.1 - Basic Principle
		3.5.2 - Instrumentation
		3.5.3 - PAS gases
		3.5.4 - Condensed systems
		3.5.5 - Chemical and surface applications
		3.5.6 - Sum up
		3.5.7 - Check your progress:key
		3.5.8	-	References

https://drive.google.com/file/d/0BxSmC2kUk3lpbmh3aWpjV1dLeUE/view?usp=sharing

UNIT 5

Unit -5 Magnetic Resonance Spectroscopy

Structure

4.0 Introduction

4.1 Objectives

4.2 - Nuclear Magnetic Resonance Spectroscopy

4.2.1 - Nuclear Spin

4.2.2 - NMR active nuclei

4.2.3 - Spinning Nuclei-Magnetic moments-Larmor Precision

4.2.4 - Theory of NMR

4.2.5 - Nuclear Resonance

4.2.6 – Nuclear Saturation & Relaxation Process

4.2.7 – Instrumentation

4.2.8 – Shielding of magnetic nuclei

4.2.9 – Spin –Spin interactions

4.2.10 – Classification (ABK, AMX,ABC,A₂B₂)

4.2.11 - Spin Decoupling

4.2.12 - NMR studies of nuclei other than proton – ¹³C,¹⁹F,³¹P

4.2.13 – FTNMR

4.2.14 – Advantages of FTNMR

4.2.15 - Use of NMR in medical diagnosis

4.3 Electron Spin Spectroscopy

4.3.1 -Types of substances with unpaired electrons (ESR active species)

4.3.2 -Basic Principle of ESR specrum

4.3.3 -g-value & factors affecting g- value

4.3.4 -Determination of value of g

4.3.5 -Relaxation & Saturation

4.3.6-Instrumentation

4.3.7 -Hyperfine splitting constant

4.3.8 -Zero Field splitting

4.3.9 -Kramer‘s Degeneracy

4.3.10- Spin Hamiltonian

4.3.11 -Applications of ESR Spectrum

4.3.12 –ENDOR & ELDOR

4.4 Nuclear Quadrupole Resonance Spectroscopy

4.4.1 - Basics of NQR

4.4.2 - Nuclear Electric Quadrupole

4.4.3 - Theory of NQR

4.4 .4 - Electric Field Gradient

4.4.5 - Quadrupole moment

4.4.6 - Quadrupole Coupling constannt

4.4.7 - Instrumentation for NQR

4.4.8 - Splitting in NQR

4.4.9 - Applications of NQR Spectroscopy

4.4.10- Let us sum up

4.4.11 – Check your progress - key

4.4.12 - Reference

https://drive.google.com/file/d/0BxSmC2kUk3lpNXdLRklIWFJFMjQ/view?usp=sharing

UNIT 6

Unit 6 –X RAY DIFFRACTION

STRUCTURE

5.0–Introduction

5.1- Objective

5.2. – X-Ray Diffraction

5.2.1 – Bragg Condition

5.2.2 – Bragg law and method

5.2.3 - Technique for x ray structure analysis of crystals

5.2.4 – Laue method

5.2.5 – Debye scherrer method of x-ray analysis

5.2.6 - Miller Indices

5.2.7 - Identification of unit cell

5.2.8 - Structure of Simple lattices

5.2.9 – Structure factor & its relation to intensity & electron density

5.2.10- Phase problem

5.2.11- Description of the procedure of x-ray structure analysis

5.2.12 - Absolute configuration of molecule

5.2.13- Ramchandran diagram

5.2.14 – Let us sum up

5.3. Electron Diffraction

5.3.1- Objectives of electron diffraction

5.3.2- Instrumentation

5.3.3 - Scattering angle

5.3.4- Scattering intensity

5.3.5- Wierl Equation

5.3.6- Measurement Technique

5.3.7- Elucidation of structure of simple gas phase molecules

5.3.8- Low Energy Diffraction

5.3.9- Determination of structure of surfaces

5.3.10-Applications of Electron diffraction

5.11 -Let us sum up

5.4 .- Neutron Diffraction

5.4.1 Objectives of Neutron Diffraction

5.4.2 Principle of neutron diffraction

5.4.3 Scattering of Neutrons by solids & liquids

5.4.4 Magnetic Scattering

5.4.5- Measurement technique

5.4.6- Applications

5.4.7 - Let us Sum Up

5.4.8- Check Your Progress :Key

5.4.9-References

https://drive.google.com/file/d/0BxSmC2kUk3lpZ2hVanc5RzNSS3M/view?usp=sharing

List of Online Tutorial for Class M.Sc.

1. Introduction to Green Chemistry
Study online with the help of this link click on link
https://drive.google.com/file/d/0BxSmC2kUk3lpMWxYMldCcnZkZGM/view?usp=sharing

2. NMR (Nuclear Magnetic Resonance)
Study online with the help of this link click on link
https://drive.google.com/file/d/0BxSmC2kUk3lpMnN6VmxINmkwMlU/view?usp=sharing

3. QSAR
Study online with the help of this link click on link
https://drive.google.com/file/d/0BxSmC2kUk3lpS0pDQXA0WWtNMGs/view?usp=sharing

4. Quantum Chemistry
Study online with the help of this link click on link
https://drive.google.com/file/d/0BxSmC2kUk3lpb3UwcTE5NnZSMkk/view?usp=sharing

5. Chemical Kinetics
Study online with the help of this link click on link

https://drive.google.com/file/d/0BxSmC2kUk3lpQldOQzZPSnlJN2M/view?usp=sharing

Dr. Madhu Gupta
Dept. of Chemistry
MMH College, Ghaziabad
Affiliated to: Chaudhary Charan Singh University, Meerut
Email: madhuexe@gmail.com
Blog: http://drmadhugupta.blogspot.in/
Whatsaap/Mobile:91- 9868867953

PhD THESIS AWARDED
	*Title name*	*Name of Student*
1	Topological prediction of Biological Activity of some Drug Molecules.	Rajneesh kumar
2	Prediction of Toxicity of some Organic Compounds	Renu Kumari
3	QSAR studies on Prediction of Aqueous Solubility of Organic Compounds.	Amita kumari
4	QSAR of some Carbonic Anhydrase Inhibitors.	Bhawna singh
5	QSAR Modelling of Polychlorinated Biphenyls.	Manish Rao
6	Topological Modelling of Anti HIV Activity using Quantum Chemical Approach.	Jyoti Dixit
7	Computer Aided Modelling of some AntiHypertensive drugs.	Shushil kumar
M.phil THESIS AWARDED
8	Design and synthesis of chormones and evaluating their biological activity.	Pooja Sharma

Sn	Title of the presented	Focal theme of conference seminar	Duration / Organised by	International national	Encl	Self assement	Verfied
1	QSAR prediction of n-octanol/water partition coefficient for polychlorinated biphenyls	ICWEE 2015	3 days , American University of Sharjah	International		7
2	Qsar study on Aromatic Heteraromatic Sulphonamide Derivatives as carbonic anhydrase VII inhibitaors using topological indices	Chanllenges on Phamaceutical Education and research present past and future	1 Days, NIET, Gr. Noida	national		5
3	QSAR as a tool for drug designing	Recent Trends in Drug Discovery	2 Days, NIET, Gr. Noida	national		5

Dr. Madhu Gupta

Tuesday, October 3, 2017

MSC 1st Sem. INORGANIC CHEMISTRY (Metal Ligand Equilibria in Solution )

Monday, September 25, 2017

Voltammetric Techniques

Symmetry & Group Theory in Chemistry

Symmetry & Group Theory in Chemistry

Sunday, September 24, 2017

Voltametry study notes

lecture notes on polarography

Wednesday, September 20, 2017

INORGANIC CHEMISTRY- Stereochemistry in Main Group Compounds.

Monday, August 14, 2017

List of Tutorial Slides for online Study

Friday, June 30, 2017

RESEARCH GUIDANCE

Teaching Related Activities:

conference seminar

About Me