Spectroscopic Methods of structure Elucidation: Course Outline (P-II)
The course provides a higher level description of the fundamentals of chemical spectroscopy and molecular symmetry, structure and bonding. It develops the ideas necessary to understand spectroscopy from a quantum mechanical perspective.
Course Outline
Introduction
- Introduction to electromagnetic radiations
- Electromagnetic spectrum
- Interactions between electromagnetic radiations and molecules
- Index of hydrogen deficiency
- Energy-wavelength relations
- Molecular transitions and spectral regions
Ultraviolet and visible spectroscopy
- Radiation sources
- Monocheromators
- Detectors
- Single and double-beam
- Spectrophotometers
- Origin of molecular spectra
- Electronic transitions
- Solvent and steric effects
- Beer-Lambert law
- Calculation of λmax for different systems including dienes
- Enones and substituted benzoic acids
- Analysis of multicomponent systems and
- Applications of UV in structure elucidation
Infrared spectroscopy
- Near infrared spectroscopy
- Fourier transform infrared spectroscopy
- Instrumentation
- Vibrational modes and absorption frequencies
- Intensities
- Sample
- Handling
- Characteristic absorption frequencies of different functional groups
- Applications of IR spectroscopy in qualitative and quantitative analysis
Nuclear magnetic resonance spectroscopy
Proton magnetic resonance spectroscopy (1H-NMR)
- Basic theory
- Concept of nuclear spin states
- Nuclear magnetic moment
- Chemical shift
- Molecular structure and chemical shifts
- Factors affecting chemical shifts
- Local diamagnetic shielding and magnetic anisotropy
- Spin- spin splitting
- N+1 rule coupling constants
- Mechanism of coupling
- Factors effecting coupling constants
- Long range couplings
- Magnetic unequivalence
- Use of tree diagrams when n+1 rule fails
- Spin system notations
- Instrumentation (continuous wave (CW) instrument and pulsed fourier transform (FT) instrument
- A comparison of spectra at low and high field strengths
- Characteristic 1H-NMR absorption frequencies of different functional groups
- interpretation of 1H-NMR spectra
Carbon-13 magnetic resonance spectroscopy (13C-NMR)
- The carbon nucleus
- Carbon-13 chemical shifts
- Calculation of 13C chemical shifts
- Spin- spin splitting of carbon-13 signals proton coupled spectra and
- Proton decoupled spectra
- Nuclear overhauser enhancement (NOE) and origin of nuclear
- Overhauser effect
- Molecular relaxation processes
- Off resonance decoupling
- DEPT spectra
- 13C chemical shifts of different organic compounds and interpretation of 13CNMR spectra
Mass Spectrometery
- Basic principles
- Instrumentation (theory and operation)
- The mass spectrum
- Determination of molecular weight
- Determination of molecular formula
- Determination of molecular structure
- Interpretation of mass spectrum
- Fragmentation
Relevant Books
E-Books
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Author: Brown, Nathan Mannhold.
Publisher: John Wiley & Sons
Date Published: 2012 -
Author: ur-Rahman, Atta- Reitz, Allen B. Choudhary, M. Iqbal
Publisher: Bentham Science Publishers
Date Published: 2010 -
Author: ur-Rahman, Atta- Reitz, Allen B. Choudhary, M. Iqbal
Publisher: Bentham Science Publishers
Date Published: 2010 -
Author: Nogrady, Thomas Weaver.
Publisher: Oxford University Press
Date Published: 2005 -
Author: ur-Rahman, Atta- Reitz.
Iqbal Publisher: Bentham Science Publishers
Date Published: 2010 -
Author: Brown, Nathan Mannhold.
Publisher: John Wiley & Sons
Date Published: 2013 -
Author: Modschiedler, Christa Beaubien Bennett, Denise
Publisher: American Library Association
Date Published: 2014 -
Author: Singh, Jagdamba Dubey.
Publisher: Pragati Prakashan
Date Published: 2009 -
Author: Leszczynski, Jerzy
Publisher: World Scientific Publishing Co.
Date Published: 2005 -
Author: Mitchem, Brian H. Sharnham, Charles L.
Publisher: Nova
Date Published: 2009 -
Author: Chatwal, G.R. Arora, M.
Publisher: Himalaya Publishing House
Date Published: 2008 -
Author: Sindhu, P.S.
Publisher: New Academic Science
Date Published: 2012 -
Author: Lasch, Peter Kneipp.
Publisher: Wiley
Date Published: 2008 -
Author: Chatwal.
Publisher: Himalaya Publishing House
Date Published: 2009
E-Books
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Author: Chatwal, G.R.
Publisher: Himalaya Publishing
Date Published: 2010 -
Author: Kar, Ashutosh
Publisher: New Age International
Date Published: 2007 -
Author: Zavod, Robin Harrold, Marc
Publisher: ASHP
Date Published: 2014 -
Author: Kar, Ashutosh
Publisher: New Age International
Date Published: 2004 -
Author: Colombo, Giulia P. Ricci.
Publisher: Nova
Date Published: 2009 -
Author: Ortega, Marta P. Gil.
Publisher: Nova
Date Published: 2009 -
Author: Zhang, Wei Cue, Berkeley
Publisher: John Wiley & Sons
Date Published: 2012 -
Author: Kappe, C. Oliver Stadler, Alexander Dallinger, Doris
Publisher: Wiley-VCH
Date Published: 2012 -
Author: Lackey, Karen Roth, Bruce Manhold, Raimund
Publisher: John Wiley & Sons, Incorporated
Date Published: 2013 -
Author: Gohlke, Holger Mannhold, Raimund Kubinyi, Hugo
Publisher: Wiley-VCH
Date Published: 2012 -
Author: Liras, Spiros Bell, Andrew S. Mannhold, Raimond
Publisher: John Wiley & Sons
Date Published: 2014 -
Author: Smith, Douglas A. Allerton, Charlotte Kalgutkar, Amit S.
Publisher: John Wiley & Sons
Date Published: 2012 -
Author: Dömling, Alexander Kubinyi, Hugo Mannhold, Raimund
Publisher: John Wiley & Sons
Date Published: 2013 -
Author: Lin, S.H. Villaeys, A.A. Fujimura, Y.
Publisher: World Scientific Publishing Co.
Date Published: 2010 -
Author: Ferraro, John R. Nakamoto, Kazuo Brown, Chris W.
Publisher: Academic Press
Date Published: 2002