NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]
3091	3.236	103.2
3070	3.257	49.49
3047	3.282	48.39
1947	5.137	5.796
1940	5.155	0.8405
1926	5.192	6.722
1914	5.226	4.793
1886	5.301	5.74
1854	5.393	3.227
1836	5.447	2.74
1826	5.476	0.6636
1812	5.517	0.7515
1803	5.546	0.9176
1794	5.573	0.5664
1779	5.621	5.698
1752	5.706	6.127
1698	5.89	3.634
1677	5.963	0.8672
1615	6.191	1.208
1602	6.243	1.539
1590	6.291	7.493
1582	6.32	0.9529
1557	6.424	1.125
1544	6.476	6.979
1516	6.595	6.647
1498	6.676	15.34
1489	6.715	12.9
1468	6.812	11.03
1457	6.862	5.56
1448	6.908	3.783
1436	6.964	2.234
1425	7.018	45.62
1410	7.092	55.81
1405	7.116	23.75
1387	7.211	3.574
1382	7.233	2.699
1363	7.335	2.482
1355	7.381	1.393
1331	7.513	3.563
1323	7.56	9.738
1314	7.612	1.399
1296	7.714	2.183
1278	7.823	4.053
1268	7.887	24.25
1261	7.933	3.057
1238	8.08	2.753
1180	8.471	5.356
1170	8.546	5.872
1157	8.641	5.625
1144	8.741	1.526
1117	8.953	1.543
1109	9.015	0.9695
1092	9.159	3.909
1055	9.482	20.08
954.2	10.48	1.396
943.3	10.6	1.655
883.4	11.32	37.1
861.6	11.61	1.823
846.4	11.81	1.748
815.3	12.27	5.109
806.4	12.4	48.17
797.9	12.53	1.961
786.3	12.72	2.169
754.9	13.25	162.7
745.9	13.41	42.91
725.1	13.79	1.281
691.8	14.46	5.274
669.3	14.94	1.705
650	15.38	1.967
626.9	15.95	5.148
624	16.03	3.177
621.1	16.1	16.04
576.9	17.33	4.99
529.3	18.89	15.42

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.
1,2;3,4;5,6;7,8;9,10;12,13-hexabenzoperopyrene"

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