Integrated Spectroscopic Methods:

You have studied in details about the theoretical aspects and the applications of different types of atomic and molecular spectroscopic methods in the earlier. You have learnt that the molecular spectra contain important information about the structure of the molecule. In this you will learn that how the information available from different types of molecular spectra can be used for the structure elucidation of the Organic molecules. Within this context we will use the information that was available from UV-VIS, IR, 1H-NMR and mass spectrometry.

To facilitate this, we would first recapitulate the important structural information available from different types of spectra and then, along with the help of worked instances, describes how to elucidate the structure of a molecule from its given spectral data. Thus, aims to integrate the information available from different types of spectral methods and apply this knowledge to arrive at the structure of a molecule. Instead, you will be able to correlate the spectral signals of a molecule to various structural units present in the molecule. Once you know the correlation among different spectral features and the structure of the molecule, you could also predict the important spectral details for a given molecule from its structure.

Objectives

After studying this Unit, you should be able to:

• Describe and calculate the Index of Hydrogen Deficiency,
• Define the importance of molecular formula and Index of Hydrogen Deficiency in the structure elucidation of an organic compound,
• List significant structural information available from UV-VIS, 1H-NMR IR, and mass spectra of a molecule,
• Associated the signals and their intensities in different types of spectra of a molecule to various structural units present in it,
• Integrate the in sequence available from different types of spectra to elucidate the structure of a molecule, and predict the spectral data for a compound from its structural formula.