Raman and Infrared spectra of WHO essential antibiotics
Description
Average raw experimental infrared (IR) and Raman spectra, and theoretical infrared and Raman spectra of common antibiotics in powder form. Attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy was used for all antibiotic powders. Raman spectroscopy was performed with 1064, 633, 532 and 488 nm excitation wavelengths. 1064 nm excitation wavelength was performed with FT-Raman spectroscopy, while excitation wavelengths 488, 633 and 532 nm were performed with Raman microscopes. Not all antibiotic powders were able to be measured on all excitation wavelengths due to fluorescence contributions. All spectra shown are average raw spectra before any background corrections were implemented. Theoretical scaled IR and Raman spectra are single-molecule spectra with the exception of nalidixic acid which has both single-molecule and four-molecule IR and Raman spectra. This dataset is a part of the following publication: Aaron Mclean, Sophie A. Crouch, Magdalena Giergiel, Callum Gassner, Ava Rossetti, Ekaterina I. Izgorodina, Kamila Kochan, Raman and infrared spectroscopy of WHO essential antibiotics, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy DOI: 10.1016/j.saa.2026.128024. If you use this in you published outputs, please cite this dataset and the publication above.
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Steps to reproduce
The detailed method is described in the following publication: Aaron Mclean, Sophie A. Crouch, Magdalena Giergiel, Callum Gassner, Ava Rossetti, Ekaterina I. Izgorodina, Kamila Kochan, Raman and infrared spectroscopy of WHO essential antibiotics, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy DOI: 10.1016/j.saa.2026.128024.
Institutions
- Monash UniversityVIC, Clayton