Raman database considerations for near-infrared systems

Brenda M. Kunkel; Yin-Fong Su; Russell G. Tonkyn; Eric G. Stephan; Alan G. Joly; Jerome C. Birnbaum; Kristin H. Jarman; Timothy J. Johnson

doi:10.1117/12.898368

13 October 2011 Raman database considerations for near-infrared systems

Brenda M. Kunkel, Yin-Fong Su, Russell G. Tonkyn, Eric G. Stephan, Alan G. Joly, Jerome C. Birnbaum, Kristin H. Jarman, Timothy J. Johnson

Author Affiliations +

Proceedings Volume 8189, Optics and Photonics for Counterterrorism and Crime Fighting VII; Optical Materials in Defence Systems Technology VIII; and Quantum-Physics-based Information Security; 818905 (2011) https://doi.org/10.1117/12.898368
Event: SPIE Security + Defence, 2011, Prague, Czech Republic

Abstract

For Raman spectroscopy the ability to detect is often limited by the existence and quality of the reference library to which field spectra are compared. Developing such databases is often labor- and resource-intensive; typically the generated data are not transferred to other instruments. Still other considerations may exist for comparing data at visible and ultraviolet excitation wavelengths such as resonance enhancement. However, for the common near-infrared wavelengths of 785, 830, 960, 1047 and 1064 nm where this is normally of a lesser concern, it is logical to consider whether data can be ported from one spectrometer to another so as to obviate the expensive and time-consuming process of generating reference data for each system. The present experiment generated a list of 125 chemical and common substances and formed a database from their corresponding 1064 nm spectra. The same molecules were then measured using a 785 nm system. The new spectra were treated as "unknowns" and compared to the 1064 nm database using a commercial search algorithm. We found that at least 108 of the 125 spectra recorded at 785 nm were correctly identified using the search algorithm. For the few that were incorrectly identified, in most cases the spectra were extremely similar or the 785 nm signal was degraded due to fluorescence, as would occur regardless of reference data. Our results indicate that if the spectrometers are properly calibrated on both their wavelength and intensity axes, "foreign" data recorded at a different NIR wavelength can be successfully used as reference libraries.

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Brenda M. Kunkel, Yin-Fong Su, Russell G. Tonkyn, Eric G. Stephan, Alan G. Joly, Jerome C. Birnbaum, Kristin H. Jarman, and Timothy J. Johnson "Raman database considerations for near-infrared systems", Proc. SPIE 8189, Optics and Photonics for Counterterrorism and Crime Fighting VII; Optical Materials in Defence Systems Technology VIII; and Quantum-Physics-based Information Security, 818905 (13 October 2011); https://doi.org/10.1117/12.898368

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