NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]
3138	3.187	1.688
3095	3.231	38.14
3064	3.263	108.5
3045	3.284	57.28
3026	3.304	29.47
2977	3.359	1.059
2940	3.402	2.418
2297	4.354	1.34
1934	5.171	1.82
1930	5.181	4.779
1923	5.2	5.481
1915	5.221	4.949
1907	5.245	2.652
1900	5.264	2.495
1888	5.298	2.653
1885	5.304	2.428
1859	5.38	2.954
1852	5.4	1.082
1795	5.571	2.601
1787	5.597	9.681
1780	5.617	4.459
1755	5.699	1.013
1718	5.819	0.9585
1674	5.974	2.684
1661	6.019	1.457
1654	6.045	1.726
1630	6.134	14.78
1602	6.24	9.991
1595	6.271	35.86
1557	6.423	0.6315
1545	6.474	0.5958
1525	6.556	10.78
1506	6.641	8.153
1494	6.696	1.037
1479	6.76	3.194
1462	6.839	3.765
1436	6.961	59.2
1424	7.023	10.84
1419	7.045	4.116
1403	7.129	6.545
1379	7.251	5.998
1368	7.311	5.298
1350	7.407	20.45
1342	7.45	21.28
1320	7.578	9.454
1314	7.609	2.323
1308	7.645	3.843
1270	7.872	6.672
1260	7.937	4.674
1235	8.098	9.846
1214	8.235	16.71
1204	8.306	4.873
1196	8.36	1.321
1167	8.57	9.712
1148	8.712	7.063
1135	8.811	0.5828
1114	8.976	1.419
1111	8.998	1.361
1095	9.13	16.48
1084	9.223	1.197
1038	9.633	0.9922
1036	9.651	1.783
1027	9.733	0.7922
1021	9.793	0.6156
960.4	10.41	4.26
937	10.67	0.7684
927.5	10.78	4.071
894.5	11.18	2.381
838.5	11.93	57.75
832.4	12.01	6.366
812.6	12.31	38.92
762.8	13.11	5.93
760.6	13.15	9.605
733.2	13.64	13.18
690.2	14.49	1.957
655.5	15.26	0.726
596.3	16.77	5.666
566.5	17.65	9.328
558.2	17.91	0.7303
525.1	19.04	1.685
502.4	19.9	2.84
489.8	20.42	1.713
468.4	21.35	5.588

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.
3,4;5,6;7,8-tribenzoperopyrene

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