Infrared and Raman spectra are sometimes called molecular "fingerprints". The reason for this is that these spectra are derived from chemical bonds However, as the name "fingerprint" implies, the spectra are very complicated and difficult to fully understand. Therefore, even if a spectrum is measured, it is often impossible to understand it unless you are a specialist with extensive knowledge and experience. Currently, spectra are treated as a black box, and they are only used to identify substances by comparing them with databases.
I would like to break through this situation and realize a world where anyone can easily interpret complex fingerprints. The Interpreting fingerprints means knowing what molecular vibrations correspond to each peak in the spectrum. If we can understand the fingerprints of molecules, we will be able to perform more detailed spectral analysis.
"Vibratist" is a database of molecular vibrations using quantum chemical calculations. We have made it possible for general infrared and Raman users to easily utilize quantum chemical calculations without specialized knowledge. We hope you will deepen your understanding of spectra and make the most of it.