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Spectroscopy

Spectroscopy

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Chittaranjan Routray

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Course Name :  Spectroscopy

Code(Credit) : CUTM1482 (3-2-1)

Course Objectives

  • To learn proper sample handling procedures for acquiring different spectral techniques.
  • To determine the percentage composition of a liquid sample mixture by the application of Beer's law.
  • Recognize and draw particular carbohydrate structures
  • Know general structural elements of cyclic monosaccharides and disaccharides, and their implications for structure/function
  • To train the students for identification of unknown compounds
  • To train the students to synthesize various dyes

Course Outcomes

COs Course outcomes Mapping COs with POs (High-3, Medium-2, Low-1)
CO1 To impart knowledge of basic concepts of spectroscopy PO1 ( 3), PO2 (2), PO4(1)
CO2 Understanding of the problem solving techniques of organic spectrosocpy PO1 ( 2),PO2(3), PO5(2)
CO3 Investigation of different patterns of peaks and their origin and hence deduction of structure of organic species. PO2(2), PO4(2), PO5(3)
CO4 To develop analytical skills on predicting and explaining the various spectroscopic patterns for organic molecules PO2(3), PO4(3), PO5(2)

Course Syllabus


Module -1 (UV-VIS Spectroscopy)
Introduction to UV spectroscopy, Theory and principles, Types of electronic transitions, Tmax, Chromophores and Auxochromes, Bathochromic and Hypsochromic shifts, Intensity of absorption; of Application Woodward rules for calculation of ^max for the following systems: a,P unsaturated aldehydes, ketones, carboxylic acids and esters; Conjugated dienes: distinction between cis and trans isomers.

Assignment-1:Types of electronic transitions, Tmax, Chromophores and Auxochromes, Bathochromic and Hypsochromic shifts, Intensity of absorption

Practise-1: To measure the absorbance of the sample at different wavelengths.
Practise-2: Calculation of λmax of Organic Compounds Using Woodward Fieser Rules
Practise-3: Solvent Effects on the UV-visible Absorption Spectra

Practise-4:To Determine of the Molar Absorptivity of a Light Absorbing Molecule by using Lambert-Beer’s law

Module-2 (IR Spectroscopy)
Fundamental and non-fundamental molecular vibrations; IR absorption positions of O, N and S containing functional groups; Effect of H"bonding, conjugation, resonance and ring size on IR absorptions; Fingerprint region and its significance; application in functional group analysis.

Assignment-2:IR absorption positions of O, N and S containing functional groups
Assignment-3:Fingerprint region and its significance

Module -3 (NMR Spectroscopy)
Basic principles of Proton Magnetic Resonance, chemical shift and factors influencing it; Spin - Spin coupling and coupling constant; Anisotropic effects in alkene, alkyne, aldehydes and aromatics, Interpretation of NMR spectra of simple compounds. Applications of IR, UV and NMR for identification of simple organic molecules.

Assignment-4:chemical shift and factors influencing it
Assignment-5:Spin - Spin coupling and coupling constant

Practise-5: Nuclear magnetic resonance spectroscopy and evaluation of simple 1H NMR spectra of select organic compound

Module-4(Mass spectroscopy)
Introduction to mass spectrometry, Ionization methods & mass filter techniques in mass spectrometry, ionization methods(electron impact, chemical ionization), molecule fragmentation, Mac-Lafferty rearrangement

Assignment-6:Mac-Lafferty rearrangement

Practise-6:Instrumentation and working principles principles of mass spectroscopy

Module-5(Carbohydrates)
Occurrence, classification and their biological importance. Monosaccharides: Constitution and absolute configuration of glucose and fructose, epimers and anomers, mutarotation, determination of ring size of glucose and fructose, Haworth projections and conformational structures; Interconversions of aldoses and ketoses; Killiani-Fischer synthesis and Ruff degradation; Disaccharides - Structure elucidation of maltose, lactose and sucrose.Polysaccharides: starch, cellulose and glycogen.

Assignment-7: epimers and anomers
Assignment-8:mutarotation

Practise-7:Estimation Of Glucose in the lab

Practise-8:To estimate the blood glucose level by glucose oxidase method
Practise-9: Action of Salivary Amylase on Starch

Module – 6 (Dyes)
Classification, Colour and constitution; Mordant and Vat Dyes; Chemistry of dyeing; Synthesis and applications of: Azo dyes - Methyl Orange and Congo Red (mechanism of Diazo Coupling); Triphenyl Methane Dyes -Malachite Green, Rosaniline and Crystal Violet; Phthalein Dyes - Phenolphthalein and Fluorescein.

Assignment-9: Mordant and Vat Dyes

Practise-10:synthesis of fluorescein dye from marker ink and phthalic anhydride
Practise-11: Methyl Orange : Organic synthesis

Module-7 (Chromatography)
Gas Chromatography, Column  Chromatography, supercritical fluids, TLC,HPLC

Assignment-10:TLC and supercritical fluids

Practise-12: Separation of compounds using column chromatography
Text Books:
A.Organic spectroscopy by Y.R Sharma
B.Instrumental Methods of Chemical Analysis by B.K Sharma
C.Singh, J.; Ali, S.M. & Singh, J. Natural Product Chemistry, Prajati Prakashan (2010).
D.Kalsi, P. S. Textbook of Organic Chemistry 1st Ed., New Age International (P)Ltd. Pub.
E.Spectrophotometric identification of Organic Compounds by Silverstein
F.Clayden, J.; Greeves, N.; Warren, S.; Wothers, P.; Organic Chemistry, Oxford University Press.

Session Plan

Session 1

Session 2 (Flip Class)

Assignment-1

Electronic transitions, Chromophores and Auxochromes, Bathochromic and Hypsochromic shifts, Intensityof absorption
https://www.youtube.com/watch?v=dX_AJXPItAQ&t=92s
https://www.slideshare.net/krakeshguptha/chromophore

https://www.youtube.com/watch?v=cDp24erHFiQ

Session 3

Application Woodward rules for calculation of λ max for the ɑ,β unsaturated carbonyl compounds and conjugated dienes, distinction between cis and trans isomers
https://www.youtube.com/watch?v=MwLSsLcSgAU
https://www.slideshare.net/faizanakram1/woodward-fieser-rules
https://www.youtube.com/watch?v=jVHI2tFgjTQ
https://www.youtube.com/watch?v=bJ4MuO4-UnY

Session 4 (2 hrs)

Practise-1:
To measure the absorbance of the sample at different wavelengths.
http://vlab.amrita.edu/?sub=2&brch=190&sim=338&cnt=4

Session 5

Infrared spectroscopy; introduction ,principle , Fundamental and non-fundamental molecular vibrations
https://www.youtube.com/watch?v=Cfu28uVmmnY
https://www.slideshare.net/chiranjibi68/theory-of-ir-spectroscopy

Session 6 (Flip Class)

Assignment-2

IR absorption positions of O, N and S containing functional groups
https://www.youtube.com/watch?v=9_SNdTRl4sM
https://www.slideshare.net/yousufzaidi/4424-structure-determination-through-ir

Session 8 (2 hrs)

Session 12 (2 hrs)

Session 16 (2 hrs)

Practise-4:
To Determine of the Molar Absorptivity of a Light Absorbing Molecule by using Lambert-Beer’s law
http://mas-iiith.vlabs.ac.in/exp5/Introduction.html?domain=%20Chemical%20Sciences&lab=ABSORPTION%20SPECTROSCOPY%20VIRTUAL%20LAB

Session 18

Session 20 (2 hrs)

Practise-5:
Nuclear magnetic resonance spectroscopy and evaluation of simple 1H NMR spectra of selected organic compounds
http://ccnsb06-iiith.vlabs.ac.in/exp5/Introduction.html?domain=%20Chemical%20Sciences&lab=Physical%20Chemistry%20Lab

Session 24 (2 hrs)

Practise-6:
Instrumentation and working principles principles of mass spectroscopy
http://ccnsb06-iiith.vlabs.ac.in/exp8/Introduction.html?domain=%20Chemical%20Sciences&lab=Physical%20Chemistry%20Lab

Session 25

Session 26

Monosaccharides: Constitution and absolute configuration of glucose and fructose,
https://www.youtube.com/watch?v=U5xnGyw2llY
https://www.slideshare.net/mutiullah1/chemistry-of-carbohydrates-and-their-structure

Session 28 (2 hrs)

Practise-7:
Estimation of glucose in the lab.
http://vlab.amrita.edu/?sub=2&brch=191&sim=692&cnt=4

Session 32 (2 hrs)

Practise-8:
Estimation of blood glucose by Glucose oxidase method
http://vlab.amrita.edu/?sub=3&brch=63&sim=1343&cnt=2

Session 35

Disaccharides - Structure elucidation of maltose, lactose and sucrose.
https://www.youtube.com/watch?v=Kj15mH5zB6Y
https://www.slideshare.net/bokerker321/disaccharides-14059780

Session 36 (2 hrs)

Practise-9
Action of Salivary Amylase on Starch
https://amrita.olabs.edu.in/?brch=18&cnt=1&sim=236&sub=79

Session 40 (2 hrs)

Practise-10
synthesis of fluorescein dye from marker ink and phthalic anhydride
https://www.youtube.com/watch?v=zIpoLiesBgg
https://www.youtube.com/watch?v=xXZcRwh28TE&t=25s

Session 44 (2 hrs)

Practise-11:
Methyl Orange : Organic synthesis
https://www.youtube.com/watch?v=dRKUbgBTMu8

Session 47

Session 50 (2 hrs)

Practise-12:
Separation of Compounds Using Column Chromatography
http://vlab.amrita.edu/?sub=2&brch=191&sim=341&cnt=2

Case Studies

Case Studies

Our Main Teachers

Mr. Chittaranjan Routray, M.Sc ,Ph.D(Cont…) serving as Assistant Professor in the Department of Chemistry,School of Applied Sciences of Centurion University of Technology and Management, Odisha. He has more than 12 years of Experiences as an Academician as well as Researcher.  His subject of expertise includes Polymer Chemistry, Spectroscopy, Nano Technology, Water Technology and Bio Chemistry […]