Density Functional Theory Calculated Raman Spectra of Ergocalciferol (Vitamin D2) and Cholecalciferol (D3)

Ojars Balcers; Ulises Miranda; Rita Veilande

doi:10.1364/AIS.2021.JW2A.5

OSA Optical Sensors and Sensing Congress 2021 (AIS, FTS, HISE, SENSORS, ES)
OSA Technical Digest (Optica Publishing Group, 2021),
paper JW2A.5
•https://doi.org/10.1364/AIS.2021.JW2A.5

Density Functional Theory Calculated Raman Spectra of Ergocalciferol (Vitamin D2) and Cholecalciferol (D3)

Ojars Balcers, Ulises Miranda, and Rita Veilande

Optical Sensors 2021

Washington, DC United States
19–23 July 2021
ISBN: 978-1-943580-90-3

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Joint Poster Session II (JW2A)

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O. Balcers, U. Miranda, and R. Veilande, "Density Functional Theory Calculated Raman Spectra of Ergocalciferol (Vitamin D2) and Cholecalciferol (D3)," in OSA Optical Sensors and Sensing Congress 2021 (AIS, FTS, HISE, SENSORS, ES), S. Buckley, F. Vanier, S. Shi, K. Walker, I. Coddington, S. Paine, K. Lok Chan, W. Moses, S. Qian, P. Pellegrino, F. Vollmer, G. , J. Jágerská, R. Menzies, L. Emmenegger, and J. Westberg, eds., OSA Technical Digest (Optica Publishing Group, 2021), paper JW2A.5.

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Abstract

Density functional theory (DFT)-calculated Infrared and Raman spectra of Vitamin D2 and D3 are presented. The calculated results are compared with each other and with available experimental data. Applicability of Raman spectra for non-invasive optical Vitamin D sensors is discussed.

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