NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]
3707	2.697	0.01547
3698	2.704	0.01811
3517	2.843	0.01553
3104	3.221	0.04164
3090	3.236	0.1716
3060	3.268	0.5781
3034	3.296	0.1101
3030	3.301	0.1679
3003	3.33	0.07226
2983	3.353	0.01847
1947	5.136	0.056
1916	5.22	0.01307
1886	5.301	0.01659
1838	5.441	0.0125
1816	5.508	0.01735
1783	5.608	0.0507
1751	5.712	0.01295
1719	5.817	0.009114
1695	5.899	0.007085
1629	6.138	0.02816
1616	6.189	0.05833
1599	6.252	0.3335
1579	6.333	0.05393
1574	6.354	0.01754
1568	6.379	0.001779
1560	6.409	0.005645
1532	6.526	0.003227
1510	6.623	0.04939
1506	6.638	0.05829
1488	6.722	0.1945
1436	6.961	0.04085
1429	6.998	0.06552
1425	7.02	0.03129
1408	7.102	0.4518
1394	7.172	0.1313
1312	7.623	0.08087
1266	7.899	0.04896
1257	7.953	0.06526
1232	8.116	0.04725
1221	8.19	0.0231
1217	8.214	0.01319
1187	8.425	0.05658
1168	8.564	0.0256
1164	8.593	0.0424
1154	8.666	0.03375
1142	8.76	0.007258
1130	8.847	0.01651
1081	9.247	0.06045
1049	9.531	0.02571
1039	9.626	0.008761
1029	9.718	0.03838
974.2	10.26	0.005872
946.1	10.57	0.01715
892.9	11.2	0.03154
885	11.3	0.02776
866	11.55	0.07489
856.8	11.67	0.06504
842.8	11.87	0.0833
830.2	12.05	0.2435
805.9	12.41	0.136
778	12.85	0.5776
753.2	13.28	0.3691
740.9	13.5	0.05084
683	14.64	0.06609
675.4	14.81	0.09337
588.1	17	0.02185
574.4	17.41	0.02112
557.5	17.94	0.01033
537.1	18.62	0.04881
509.1	19.64	0.02553

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.
4-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