Theoretical and experimental study on Vibrational analysis and molecular Structure of biomolecules using density Functional theory

Abstract

In the modern technological perspicacious, the spectroscopic studies play a significant role in elucidation of structure and function relationships in biomolecules. Spectroscopy is the study of properties of matter through its interaction with different frequency components of the electromagnetic spectrum. In general, it is a methodology adapted to extract the information about the energies of electronic, vibrational, rotational states, structure and symmetry of molecules, and dynamic information. newlineSpectroscopy is also referred as a set of tools that can be put together in different ways to understand systems to solve chemical problems. For example, the vibrational spectroscopy an energy sensitive and non-destructive analytical method which can provide high resolution elucidation of molecular structures and inter molecular interactions. It is used to study a very wide range of sample types and can be carried out from a simple identification test to an in-depth, full spectrum, qualitative and quantitative analysis. The main advantage of using vibrational spectroscopy is that virtually any sample in any state can be studied. The advent of new technologies has introduced a wide variety of options for implementing IR and Raman spectroscopy which are together termed as vibrational spectroscopy. Raman and IR spectroscopy are complementary techniques and usually both are required to completely measure the vibrational modes of a molecule. newline