Complementary vibrational spectroscopy

Vibrational Spectroscopy of C60

The fullerene era was started in 1985 with the discovery of the stable C60 cluster and its interpretation as a cage structure with the familiar shape of a soccer ball [1]. An explosive growth in fullerene research was triggered in 1990 by the development of a method to produce fullerenes in bulk quantities [2]. Subsequently, the structural, electronic, and vibrational properties of many fullere...

Vibrational spectroscopy and imaging.

Vibrational spectroscopy of resveratrol.

In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrol (3,5,4'-trihydroxy-trans-stilbene) of diverse beneficial biological activity. Infrared and Raman spectra of the compound were recorded; density functional calculations were carried out resulting in the optimized geometry and several properties of the molecule. Ba...

Vibrational Spectroscopy in Pharmaceutical Development

Vibrational spectroscopy (VS) is the analysis of molecular properties based on vibrations at the molecular level and it is highly selective1. VS produces a spectral fingerprint of a material, such as an active pharmaceutical ingredient (API), so is well-suited to both identify and verify the API raw material and its presence in a final product. There are three related analytical techniques that...

Theoretical Vibrational Spectroscopy: A Review

Spectroscopy is the study of the interaction between radiation and matter as a function of wavelength. Theoretical vibrational spectroscopy has been discussed in this paper. In this paper, various approximations for solving Schrödinger Equation have been discussed. Ab-initio methods and DFT methods, various basis set have been discussed in details.