NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]
3059	3.269	116.2
2995	3.339	3.07
2976	3.36	2.614
1945	5.142	5.381
1923	5.2	2.198
1913	5.228	3.164
1881	5.317	1.802
1814	5.512	2.263
1796	5.569	0.8881
1783	5.609	1.314
1767	5.66	2.256
1693	5.906	1.98
1602	6.243	4.146
1564	6.395	4.638
1543	6.479	21.3
1494	6.696	11.16
1486	6.727	1.871
1480	6.758	2.214
1451	6.891	5.013
1441	6.94	14.57
1416	7.063	57.28
1371	7.293	0.5413
1340	7.463	2.626
1310	7.631	5.274
1287	7.768	2.596
1280	7.813	2.087
1270	7.876	5.326
1255	7.969	0.8193
1228	8.147	0.8962
1224	8.172	0.5911
1211	8.256	1.544
1172	8.53	3.297
1150	8.693	10.31
1134	8.821	7.428
1100	9.092	2.806
1058	9.454	1.209
1010	9.902	2.727
954.1	10.48	5.692
914.3	10.94	13.38
884.4	11.31	41.83
844.2	11.85	5.325
825.8	12.11	9.094
804	12.44	23.88
794.4	12.59	2.003
773.2	12.93	21.03
767.2	13.03	1.565
761.9	13.13	1.017
741.4	13.49	35.16
724.9	13.8	1.683
694.4	14.4	11.43
646.3	15.47	6.911
619.9	16.13	1.925
576.3	17.35	8.636

Note(s):

The reported total integrated absorption cross-section for the CH_str band located around 3000 cm^-1 (3.3 μm) was established by disregarding any substructure seen in the band and simply integrating the entire feature, including any close-by bands.
1-azabenz[a]anthracene

You are kindly asked to consider the following references for citation when using the database:

Bauschlicher, Jr., C.W., Ricca, A., Boersma, C., Allamandola, L.J., "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: COMPUTATIONAL VERSION 3.00 WITH UPDATED CONTENT AND THE INTRODUCTION OF MULTIPLE SCALING FACTORS", The Astrophysical Journal Supplement Series, 234, 32, 2018 10.3847/1538-4365/aaa019 — BibTeX - RIS
Boersma, C., Bauschlicher, Jr., C.W., Ricca, A., Mattioda, A.L., Cami, J., Peeters, E., Sánchez de Armas, F., Puerta Saborido, G., Hudgins, D.M., Allamandola, L.J., "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE VERSION 2.00: UPDATED CONTENT, WEBSITE AND ON/OFFLINE TOOLS", The Astrophysical Journal Supplement Series, 211, 8, 2014 10.1088/0067-0049/211/1/8 — BibTeX - RIS
Mattioda, A.L., Hudgins, D. M., Boersma, C., Ricca, A., Peeters, E., Cami, J., Sánchez de Armas, F., Puerta Saborido, G., Bauschlicher, C.W., J., and Allamandola, L.J. "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: THE LABORATORY SPECTRA", The Astrophysical Journal Supplement Series, 251, 22, 2020 10.3847/1538-4365/abc2c8 — BibTeX - RIS
Ricca, A., Boersma, C., Maragkoudakis, A., Roser, J.E., Shannon, M.J., Allamandola, L.J., Bauschlicher Jr., C.W., "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: COMPUTATIONAL VERSION 4.00, SOFTWARE TOOLS, WEBSITE, AND DOCUMENTATION", The Astrophysical Journal Supplement Series, XXX, YYY, 2025 10.3847/1538-4365/ae1c38 — BibTeX - RIS