Lady Doak College

About LDC


    Provisional Certificates for April 2014 passed out students are available at the Vice-Principal’s office. Students can come with ID  card and get it on all working days from10.00 – 1.00 p.m and 2 p.m. to 5.30 p.mNew    Revision of last date for the payment of Examination Fee and Hostel FeeNew    Admission closed for all UG, PG, M.Phil, Diploma & Certificate Courses from 31.08.2014New    Equivalence of Degree - B.Sc. PhysicsNew   Equivalence of Degree - B.Com, M.Com, B.Sc. MathsNew   Equivalence of Degree - B.Sc. Botany & B.A. Economics    Issue of application form for admission to Lady Doak Community College    Appointment of Examiners - Application Form    Reaccreditation (3rd cycle) Status and Peer Team Report    Application form for Teaching Posts

 

PCH 2623M MOLECULAR SPECTROSCOPY THEORY

LEARNING OUTCOMES:

6 hrs/week

On successful completion of the course, the student will be able to
  • recognize the spectroscopic techniques in terms of interaction of EMR with molecules
  • describe the principles of the rotational, vibrational, electronic, magnetic resonance spectroscopic and mass spectrometric techniques
  • apply the principles of spectroscopy to understand the structure of compounds
  • interpret the spectroscopic data for any given compound
  • propose the structure of a new compound based on the spectroscopic data

COURSE OUTLINE:
UNIT I: INTRODUCTION AND MICROWAVE SPECTROSCOPY

18 hrs

Electromagnetic radiation –interaction of EMR with molecules-types of molecular spectroscopy-principles and instrumentation of rotational, vibrational and NMR spectroscopic techniques- factors affecting line width and intensity - signal to noise ratio and resolving power - absorption and emission spectroscopy

Microwave Spectroscopy - Rotation of molecules-Rotational Spectra of rigid rotator, Intensities of rotational lines, Effect of Isotopic substitution - Rotational spectrum of non-rigid rotator-linear & symmetric top molecules- Stark effect.

Applications of Microwave spectroscopy - determination of bond length, bond angle dipole moment and atomic mass from microwave spectra

UNIT II: INFRA RED AND RAMAN SPECTROSCOPY

18 hrs

The Vibrating Diatomic Molecule - harmonic and anharmonic oscillators- Diatomic Vibrating Rotator- Vibrations of polyatomic molecules-Molecular vibrations, types of molecular vibrations, Rotational Vibrational Spectrum of Linear and Symmetric- top molecules.

Applications- Skeletal vibrations of organic and inorganic molecules- Factors influencing vibrational frequency of bonds- hydrogen bonding, electronic effect, mass effect, conjugation, ring-size -identification of functional groups ( both organic and Inorganic) using IR data.
Raman Spectroscopy- classical and quantum theory of Raman effect- Rotational Raman spectra-Linear, Symmetric Top molecules-Vibrational Raman Spectra- Raman activity of vibrations, Rule of Mutual Exclusion, polarisability ellipsoids-Rotational Fine structures- polarized and depolarized Raman lines-

Combined application of IR and Raman spectral data for in structural study of simple molecules and ions like N2O, ClF3, ClO4? and NO3?.

UNIT III: UV- VISIBLE SPECTROSCOPY AND MASS SPECTROMETRY

18 hrs

Electronic Spectra of diatomic molecules- The Born-Oppenheimer Approximation, Vibrational Coarse structure:Progressions, Intensity of vibrational-Electronic spectra: Franck-Condon Principle,Dissociation Energy and Dissociation Products, Rotational Fine Structure 0f Electronic-Vibration Transitions, The Fortrat Diagram, Predissociation
Applications electronic transitions in organic molecules- solvent effects- Woodward rules for calculation of ?max for dienes, polyenes and carbonyl compounds

Mass Spectrometry-Mass spectrum, Determination of molecular weight, molecular formulae, isotopic abundance- molecular ion - metastable ions- fragmentation routes- fragmentations associated with hydrocarbons- hydroxyl compounds, ethers, ketones, aldehydes, acids, amines, nitro compounds , halogen compounds with more than one Cl /Br atoms (both aliphatic and aromatic compounds to be done simultaneously).

UNIT IV: PROTON NMR

18 hrs

Nuclear spin states and NMR active nuclei, nuclear magnetic moments-Mechanism of resonance absorption- Population of nuclear spin states, Proton nmr- interaction of spin magnetic moment of a proton with external magnetic moment, chemical shift and shielding, chemical equivalence, chemical environment and chemical shift, magnetic anisotropy, spin-spin splitting, coupling constant, geminal, vicinal , long-range, trans, aromatic, allylic coupling, factors influencing coupling constant, splitting of nmr signals- AX and AMX types - Proton NMR spectra of organic molecules.

Applications : Structural elucidation of organic molecules using Proton NMR spectral data.

UNIT V: 13C NMR AND COMPOSITE SPECTRAL PROBLEMS

18 hrs

13C nucleus – chemical shifts, calculation of 13C chemical shifts, spin-spin splitting of 13C signals, proton decoupled 13C spectra, NOE, Off-resonance decoupling, DEPT, molecular relaxation in 13C NMR. 9 hrs

Use of IR, UV-visible, NMR and Mass spectral data for structural elucidation of organic compounds. 9 hrs

REFERENCE BOOK(S):

Aruldhas G., Molecular Structure and Spectroscopy, Prentice-Hall of India Pvt. Ltd., New Delhi, 2001.

Banwell C.N. and E.M.McCash, Fundamentals of Molecular Spectroscopy, Tata McGraw-Hill Publishing Co. Ltd., 7th Edition, New Delhi, 1999 .

Barrow G.M.,Introduction to Molecular Spectroscopy, McGraw Hill, New York, 1964.

Bellamy L.J., The Infrared Spectra of Complex Molecules, vol 2, Chapman and Hall, 3rd Edition, London, 1975.

Dyer J.R., Applications of Absorption Spectroscopy of Organic Molecules, Prentice-Hall of India Pvt. Ltd., New Delhi, 1987.

Ghosh P.K., Introduction to Photoelectron Spectroscopy, John Wiley , New York, 1989.

Jag Mohan, Organic Spectroscopy, Principles and Applications, Narosa Publishing House, Chennai, 2004

Kemp W., Organic Spectroscopy, Macmillan Press Ltd., London, 1991.

Russel S. Drago, Physical Methods in Inorganic Chemistry, Affiliated East-West Press Pvt. Ltd., New Delhi, 1968.

Russel S.Drago, Physical Methods in Chemistry, Saunders, Philadelphia, 1977.

Silverstein R.M., Bassler G.C., Morill T.C., Spectrophotometric Identification of Organic Compounds, 6th edition, John Wiley & Sons, New York & London, 1998.

Straughan B.P. and Walker S., Spectroscopy, Vol I & II, Chapman and Hall, London, 1976.

You are here