NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]
3094	3.232	13.3
3078	3.249	21.94
3066	3.262	11.1
3045	3.284	11.8
1949	5.131	1.467
1946	5.139	0.9182
1938	5.16	0.3732
1923	5.201	1.051
1918	5.213	0.6536
1915	5.221	0.7134
1913	5.228	1.185
1900	5.264	0.5207
1896	5.275	0.1923
1884	5.309	0.5965
1881	5.317	0.5758
1872	5.342	0.4355
1838	5.442	1.159
1820	5.496	0.2148
1793	5.577	1.64
1738	5.755	2.114
1585	6.31	2.436
1580	6.328	1.596
1519	6.585	14.79
1498	6.677	0.5771
1489	6.714	34.88
1471	6.797	0.8748
1444	6.925	0.4801
1430	6.991	8.632
1427	7.006	2.749
1410	7.091	13.12
1380	7.245	5.921
1371	7.294	1.609
1353	7.392	0.614
1346	7.432	0.544
1320	7.578	0.9334
1304	7.667	0.4225
1298	7.706	8.394
1268	7.884	0.5713
1264	7.913	7.386
1256	7.965	6.499
1248	8.012	4.519
1245	8.034	1.486
1241	8.06	5.561
1234	8.106	5.212
1191	8.394	1.279
1186	8.43	1.346
1175	8.511	1
1146	8.728	1.982
1137	8.797	4.539
1082	9.239	2.855
1053	9.493	3.443
1038	9.634	1.777
1016	9.846	0.9749
974.5	10.26	0.5114
956.1	10.46	1.105
945	10.58	1.11
887.6	11.27	3.674
883.4	11.32	2.419
863.8	11.58	7.097
837.4	11.94	19.57
832.7	12.01	8.651
797.1	12.55	44.21
782.4	12.78	36.01
747.5	13.38	23.83
738.5	13.54	0.5255
732.6	13.65	0.4101
727.1	13.75	1.707
693.9	14.41	1.009
685.8	14.58	3.247
674.9	14.82	5.378
576.2	17.36	8.457
568.9	17.58	1.382
545.7	18.33	3.521

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-azachrysene

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