Numerical model for predicting experimental effects in enantioselective Raman spectroscopy

Niklas Jungst, Andrew P. Williamson, Johannes Kiefer* (Corresponding Author)

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)


optical components of the signal collection system. The results indicate that the enantioselective characteristics of the method that were proposed for 1D are still valid in a 3D geometry. The contrast and sharpness in the polarization-resolved intensity distributions are moderately reduced compared to the idealized case. This is very promising for the practical application of the esR technique. The results confirm that it can be applied for a broad range of settings and substances. Chiroptical methods facilitating enantioselective quantitative measurements with good temporal and spatial resolution are highly desirable for process monitoring, e.g., during the production of pharmaceuticals. The recently proposed enantioselective Raman (esR) spectroscopy has a great potential in this respect. The a priori knowledge of how the settings of the experimental parameters will affect the measurement is crucial to avoid systematic errors and to build an optimized setup. This work presents a ray tracing-based model for the simulation of light scattering experiments and uses it to investigate the effects of experimental parameters in esR spectroscopy. The main advancement to the previous work is that the model is implemented in 3D and takes a large variety of effects into account. The laser beam is considered as a Gaussian beam. The light scattered from the different volume elements illuminated by the laser is traced through the

Original languageEnglish
Article number128
Number of pages15
JournalApplied Physics B
Issue number4
Publication statusPublished - Apr 2017

Bibliographical note

The authors gratefully acknowledge funding of this work by Deutsche Forschungsgemeinschaft (DFG) through Grant KI1396/4-1.


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