Infrared Spectroscopy of Molecules

This needs-based book summarizes important correlations about interpretation of structures — i.r. frequencies (both theoretical and experimental) from a vast amount of data available in a number of excellent encyclopedic books.

It contains a short elementary introduction on the calculation methodology for Normal Co-ordinate Analysis that will aid students in assigning a particular band to a functional group or normal mode. Statistical correlations of the i.r.-frequency data are dealt with in a number of examples not found in most other books. This book also details various spectroscopies with different optics and strategies for analyzing the spectron. Students will also get ample practice with a comprehensive section containing more than 350 problems and worked-out solutions.

• Introduction:
  • Definition of Spectroscopy and Their Various Types
  • I R and Raman Spectra
  • Classical Concept of Vibrational and Rotational Motions
• Theoretical Concepts of Vibrational Spectroscopy: A Brief Overview:
  • Classification of Motions
  • Motion in Liquid and Solid State
  • Basic Concepts of Study of Vibrational Spectra
  • Vibrating System of Point Masses. General Qualitative Description of Vibrational Calculation
  • Internal Coordinates
  • Calculation of Vibrational Frequencies Using Internal Coordinates
  • Relationship between Cartesian and Internal Coordinates [F and G Matrices]
  • G Matrix
  • Exploitation of Symmetry in the Calculation of Either Force Constants or Molecular Frequencies
  • Classes
  • Group Multiplication Table
  • Representations of Groups
  • Properties of Irreducible Representations
  • Representation Spanned by Internal Coordinates
  • Quantitative Applications of Symmetry Coordinates and Their Quantitative Applications
  • Potential and Kinetic Energy, Symmetry Factoring of G and F Matrices and Secular Determinant Using Symmetry Coordinates
  • Selection Rules
  • Summary
• Group Frequency Concept and Its Applications — General Review of Organic and Inorganic Compounds:
  • Definition of Group Frequency
  • Group Frequencies of AX_n Type of Molecules
  • Factors Responsible for the Shifts of the Characteristic Band Positions
  • Limitations of Group Frequency Concept
  • Group Frequency Tables
  • Some Miscellaneous Topics Related to Group Frequency of I R Bands
  • Infrared Spectra of Organic and Inorganic Compounds
  • Examples
• Experimental Methods and Interpretation of IR Spectra of Some Molecules:
  • Sampling of Materials
  • Instrumentation
  • Fourier Transform Instruments
• Problems with Solutions
• Appendix
• Index