NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]
3093	3.233	223.9
2972	3.365	18.2
2936	3.406	33.08
2864	3.492	23.65
2841	3.52	0.6942
2751	3.635	1.626
2736	3.655	1.754
1946	5.137	6.485
1927	5.19	9.305
1914	5.225	3.841
1882	5.313	6.592
1853	5.396	3.077
1832	5.457	1.937
1829	5.467	0.675
1822	5.488	0.5455
1779	5.622	5.904
1726	5.794	31.45
1697	5.892	1.883
1687	5.926	1.055
1679	5.957	0.6885
1644	6.084	1.913
1610	6.21	18.63
1592	6.279	37.02
1544	6.475	15.56
1533	6.524	18.53
1512	6.613	19.89
1493	6.698	16.85
1470	6.802	22.73
1458	6.859	18.46
1447	6.912	6.801
1429	6.999	29.16
1401	7.136	157.6
1383	7.231	25.13
1368	7.31	12.52
1354	7.384	0.86
1349	7.413	2.001
1333	7.5	7.544
1321	7.568	4.628
1300	7.693	7.172
1267	7.893	7.115
1258	7.952	0.7686
1250	8.001	10.87
1186	8.429	10.19
1172	8.53	9.058
1147	8.718	3.047
1136	8.803	2.72
1102	9.079	2.198
1066	9.378	15.32
1062	9.414	9.273
1038	9.634	2.624
1014	9.867	1.668
1004	9.956	3.053
868.4	11.52	4.451
859.1	11.64	0.9883
813.9	12.29	7.862
805.4	12.42	18.98
783.1	12.77	1.246
755.3	13.24	133.5
721.5	13.86	1.106
663.9	15.06	5.97
651.9	15.34	8.158
628.8	15.9	6.916
622.1	16.07	18.89
578.1	17.3	5.614
566.1	17.66	1.865
550	18.18	1.459
525.5	19.03	12.96
517.2	19.33	1.314
487.5	20.51	1.886
470.1	21.27	0.8613

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.
12,13-o-phenylene-1,2;3,4;5,6;7,8;9,10-pentabenzoperopyrene

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