Related Experiment Video
Updated: Feb 11, 2026

Author Spotlight: Assessing Brain Activity in Robotic-Assisted Lower Limb Rehabilitation Using fNIRS
Published on: June 7, 2024
Safranin-O dye in the ground state. A study by density functional theory, Raman, SERS and infrared spectroscopy
C Lofrumento1, F Arci2, S Carlesi2
1Department of Chemistry 'Ugo Schiff', University of Florence, via della Lastruccia 3, 50019 Sesto Fiorentino (FI), Italy; European Laboratory for Non-Linear Spectroscopy - LENS, via N. Carrara 1, 50019 Sesto Fiorentino (FI), Italy.
Abstract:
The analysis of ground state structural and vibrational properties of Safranin-O is presented. The experimental results, obtained by FTIR, Raman and SERS spectroscopy, are discussed in comparison to the results of DFT calculations carried out at the B3LYP/6-311+G(d,p) level of theory. The calculated spectra reproduce quite satisfactorily the experimental data. The calculated Safranin-O equilibrium structure and the assignment of the vibrational spectra are reported as well. From the changes between Raman and SERS spectra a model is presented for the interaction of Safranin-O with silver nanoparticles.
Related Concept Videos
Raman Spectroscopy: Overview
However, a small fraction of the scattered light exhibits a frequency shift due to the exchange of energy between the incident photons and...
Infrared (IR) Spectroscopy: Overview
Different compounds display unique properties due to their...
Raman Spectroscopy Instrumentation: Overview
The monochromatic laser source, typically using visible or near-infrared radiation, generates a highly focused beam of light. This light interacts with the molecules of the sample, scattering some of the light. Liquid and gaseous samples are usually tested in ordinary glass capillaries, while solids can be analyzed as powders packed in capillaries or as potassium...
Band Theory
The energy difference between these bands is known as the band gap.
Conductor, Semiconductor,...
Molecular Orbital Theory I
Attenuated Total Reflectance (ATR) Infrared Spectroscopy: Overview
The ATR process begins by directing a beam...

