NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]
3095	3.231	35.59
3062	3.266	111.7
3031	3.299	43.35
2962	3.376	2.004
1937	5.162	5.177
1926	5.192	5.894
1904	5.253	4.267
1852	5.4	11.25
1793	5.577	14.32
1732	5.773	1.998
1710	5.849	2.896
1689	5.922	15.5
1670	5.989	7.719
1635	6.117	7.966
1629	6.138	3.499
1612	6.202	12.86
1600	6.251	9.67
1594	6.275	4.877
1585	6.31	0.768
1571	6.365	34.45
1561	6.407	4.496
1529	6.542	6.371
1466	6.822	1.909
1437	6.959	92.3
1424	7.025	8.758
1416	7.06	5.661
1409	7.097	53.47
1383	7.23	0.974
1344	7.438	4.33
1341	7.458	3.886
1328	7.531	3.928
1310	7.632	8.714
1286	7.779	41.27
1250	8.003	1.632
1238	8.076	3.21
1214	8.235	1.043
1190	8.403	4.497
1168	8.559	5.973
1134	8.821	16.03
1120	8.928	9.88
1108	9.026	1.614
1092	9.154	0.774
1086	9.212	0.725
1051	9.518	0.967
1027	9.739	1.455
1000	9.996	10.11
964.8	10.36	1.721
953.1	10.49	5.964
949.1	10.54	3.272
917.1	10.9	1.199
896.9	11.15	99.23
879.2	11.37	2.304
847.5	11.8	7.806
794	12.59	32.6
781.5	12.8	9.543
769.1	13	1.043
763.6	13.1	4.763
737.5	13.56	95.85
706.3	14.16	23.12
631.9	15.83	2.332
514.6	19.43	34.3
468.3	21.35	16.41
460.3	21.72	7.882

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.
DiAnthraceno-Pyrene or dibenzo-octacene

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