IARPA / PNNL Solid Phase IR Spectra
T.J. Johnson, T.L. Myers, Y.-F. Su, R.G. Tonkyn,
M.-R. K. Kelly-Gorham, and T.O. Danby
Description
Pacific Northwest National Laboratory (PNNL) and Intelligence Advanced
Research Projects Activity (IARPA) have provided a database of
quantitative values for hemispherical (total) and diffuse reflectance
for several solid species with known particle size distributions.
More information on these spectra can be found in the following
sources:
Myers, Tanya L.; Brauer, Carolyn S.; Su, Yin-Fong; Blake, Thomas A.;
Johnson, Timothy J.; Richardson, Robert L., The influence of
particle size on infrared reflectance spectra, Proc.
SPIE 9088, Algorithms and Technologies for Multispectral,
Hyperspectral, and Ultraspectral Imagery XX, 908809,
June 13, 2014,
https://doi.org/10.1117/12.2053350.
Myers, Tanya L.; Brauer, Carolyn S.; Su, Yin-Fong; Blake, Thomas A.;
Tonkyn, Russell G.; Ertel, Alyssa B.; Johnson, Timothy J.;
Richardson, Robert L., Quantitative reflectance spectra of solid
powders as a function of particle size, Appl. Opt.,
2015, 54, 4863-4875,
https://doi.org/10.1364/ao.54.004863.
Johnson, Timothy J.; Blake, Thomas A.; Brauer, Carolyn S.; Su, Yin-Fong;
Bernacki, Bruce E.; Myers, Tanya L.; Tonkyn, Russell G.; Kunkel, Brenda M.;
and Ertel, Alyssa B., Reflectance Spectroscopy for Sample
Identification: Considerations for Quantitative Library Results
at Infrared Wavelengths, International Conference on
Advanced Vibrational Spectroscopy (ICAVS 8), July 12-17, 2015,
https://www.osti.gov/biblio/1452877.
Spectra
The table below provides links to the spectra in the database. The
spectra can also be found by searching for the chemical species and
selecting to view the infrared spectrum.
Disclaimer: Any mention of commercial products
within NIST web pages is for information only; it does not imply
recommendation or endorsement by NIST.
Name | Documentation | Particle size distribution |
---|
Erythromycin
|
PDF file
|
text file
|
Sand, 50-70 Mesh
|
PDF file
|
text file
|
Bicine
|
PDF file
|
text file
|
Nitrocellulose
|
PDF file
|
|
1,2-Diiodotetrafluorobenzene
|
PDF file
|
text file
|
Aspartame
|
PDF file
|
text file
|
2-Naphthol
|
PDF file
|
text file
|
L-Histidine
|
PDF file
|
text file
|
Sodium nitrate
|
PDF file
|
text file
|
2-(Dimethylamino)ethanethiol hydrochloride
|
PDF file
|
text file
|
Biotin
|
PDF file
|
text file
|
beta-Carotene
|
PDF file
|
text file
|
Benzophenone
|
PDF file
|
text file
|
Nylon 6/6 pellets
|
PDF file
|
text file
|
Acesulfame K
|
PDF file
|
text file
|
Benzamide
|
PDF file
|
text file
|
Bromoxynil
|
PDF file
|
text file
|
(±)-Camphor
|
PDF file
|
text file
|
4,4'-Methylene-bis(2-chloroaniline)
|
PDF file
|
text file
|
Disperse yellow 3
|
PDF file
|
text file
|
HEPES Sodium Salt
|
PDF file
|
text file
|
Sucrose
|
PDF file
|
text file
|
1-Chloro-3-nitrobenzene
|
PDF file
|
text file
|
Polyethylene, low Mw ~4,000 by GPC
|
PDF file
|
text file
|
Olivine
|
PDF file
|
text file
|
Isosorbide dinitrate
|
PDF file
|
text file
|
Pyrene
|
PDF file
|
text file
|
Benzoic acid
|
PDF file
|
text file
|
Glutaric acid
|
PDF file
|
text file
|
Glass beads, acid washed, 150-212 microns
|
PDF file
|
text file
|
Phenolphthalein
|
PDF file
|
text file
|
Sebacic acid
|
PDF file
|
text file
|
Malonic acid
|
PDF file
|
text file
|
2-Benzylaminopyridine 90-180um
|
PDF file
|
text file
|
Ethidium bromide
|
PDF file
|
text file
|
2-Benzylaminopyridine 45-90um
|
PDF file
|
text file
|
2-Benzylaminopyridine 180-250um
|
PDF file
|
text file
|
D-(--)-Fructose
|
PDF file
|
text file
|
Calcium sulfate dihydrate
|
PDF file
|
text file
|
Sucrose
|
PDF file
|
text file
|
Sodium bicarbonate
|
PDF file
|
text file
|
Cholecalciferol
|
PDF file
|
text file
|
Gentamicin sulfate
|
PDF file
|
text file
|
2-Benzylaminopyridine
|
PDF file
|
text file
|
Naproxen sodium
|
PDF file
|
text file
|
Calcium Chloride
|
PDF file
|
text file
|
Sodium phosphate
|
PDF file
|
text file
|
2,6-Dinitrotoluene
|
PDF file
|
text file
|
Petroleum Jelly
|
PDF file
|
|
Caffeine
|
PDF file
|
text file
|
Calcium stearate
|
PDF file
|
text file
|
Dicumyl peroxide
|
PDF file
|
text file
|
Triacontane
|
PDF file
|
text file
|
Sodium chloride
|
PDF file
|
text file
|
Hydroxypropyl cellulose
|
PDF file
|
text file
|
Lactose (anhydrous)
|
PDF file
|
text file
|
2-Benzylaminopyridine 250-500um
|
PDF file
|
text file
|
Aluminum Hydroxide
|
PDF file
|
text file
|
Montmorillonite No. 31
|
PDF file
|
text file
|
Tetracycline HCl
|
PDF file
|
text file
|
Ammonium phosphate monobasic
|
PDF file
|
text file
|
Urea
|
PDF file
|
text file
|
Soy Flour Bulk
|
PDF file
|
text file
|
Soy Flour
|
PDF file
|
text file
|
Potassium chlorate
|
PDF file
|
text file
|
Disperse red 1
|
PDF file
|
text file
|
Herarin-Na-salt
|
PDF file
|
text file
|
Melatonin
|
PDF file
|
text file
|
Carrageenan
|
PDF file
|
text file
|
Tetraethyl ethenetetracarboxylate
|
PDF file
|
text file
|
Lignin
|
PDF file
|
text file
|
Diphenic acid
|
PDF file
|
text file
|
Benzalkonium chloride
|
PDF file
|
|
2-Furoic acid
|
PDF file
|
text file
|
Avobenzone
|
PDF file
|
text file
|
D-Mannitol
|
PDF file
|
text file
|
2-Benzylaminopyridine 0-45um
|
PDF file
|
text file
|
4-Acetamidophenol
|
PDF file
|
text file
|
2,4-Dinitrophenol
|
PDF file
|
text file
|
beta-Estradiol
|
PDF file
|
text file
|
Dimethyl terephthalate
|
PDF file
|
text file
|
Ammonium hydrogen difluoride
|
PDF file
|
|
Acenaphthylene
|
PDF file
|
text file
|
Ammonium acetate
|
PDF file
|
text file
|
2-Chloro-N,N-dimethylethylamine hydrochloride
|
PDF file
|
text file
|
Monolinuron
|
PDF file
|
text file
|
Sigmacell Cellulose (20 um)
|
PDF file
|
text file
|
Sodium carbonate
|
PDF file
|
text file
|
2-Mercapto-4,6-dimethylpyrimidine hydrate
|
PDF file
|
text file
|
Bismuth
|
PDF file
|
text file
|
4,6-Dinitro-m-xylene
|
PDF file
|
text file
|
Poly(vinylidene fluoride)
|
PDF file
|
text file
|
Calcium hydroxide
|
PDF file
|
text file
|
gamma-Aminobutyric acid
|
PDF file
|
text file
|
Ammonium persulfate
|
PDF file
|
text file
|
Aluminum fluoride
|
PDF file
|
text file
|
TNT
|
PDF file
|
|
Dimethyl terephthalate
|
PDF file
|
text file
|
Polyethylene, medium density
|
PDF file
|
text file
|
EDTA-Na3-salt
|
PDF file
|
text file
|
Sodium chlorate
|
PDF file
|
text file
|
2,4-Dinitrotoluene
|
PDF file
|
text file
|
Fluorene
|
PDF file
|
text file
|
Talc
|
PDF file
|
text file
|
MES hydrate
|
PDF file
|
text file
|
Kanamycin sulfate
|
PDF file
|
text file
|
Calcium nitrate tetrahydrate
|
PDF file
|
text file
|
Sucralose
|
PDF file
|
text file
|
Bisphenol A diglycidyl ether
|
PDF file
|
|
Cinnabar
|
PDF file
|
text file
|
2-Benzylaminopyridine >500um
|
PDF file
|
text file
|
Sodium succinate dibasic hexahydrate
|
PDF file
|
text file
|
Safeway All Purpose Flour Enriched Bleached
|
PDF file
|
text file
|
Sodium Sulfate, Anhydrous
|
PDF file
|
text file
|
Pyrite
|
PDF file
|
|
Ammonium chloride
|
PDF file
|
text file
|
Powdered Sugar
|
PDF file
|
text file
|
Guanidine hydrochloride
|
PDF file
|
text file
|
Diphenylamine
|
PDF file
|
text file
|
Ammonium phosphate dibasic
|
PDF file
|
text file
|
Ampicillin sodium salt
|
PDF file
|
text file
|
Potassium nitrate
|
PDF file
|
text file
|
Ammonium perchlorate
|
PDF file
|
text file
|
Gypsum
|
PDF file
|
|
Warfarin
|
PDF file
|
text file
|
Sand
|
PDF file
|
text file
|
Polyethylene, average Mw ~35,000 by GPC
|
PDF file
|
text file
|
Mucic Acid
|
PDF file
|
text file
|
Amylose, from potato
|
PDF file
|
text file
|
Chitin, from shrimp shells
|
PDF file
|
text file
|