NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]
3097	3.229	26.72
3064	3.264	151.1
3027	3.303	24.99
1931	5.179	5.52
1925	5.196	4.162
1918	5.215	2.946
1909	5.239	1.463
1900	5.264	3.808
1882	5.314	5.427
1858	5.381	2.038
1853	5.397	0.7457
1786	5.598	12.55
1656	6.039	8.836
1611	6.208	9.435
1602	6.242	7.546
1590	6.29	26.7
1548	6.458	1.776
1528	6.544	11.25
1503	6.655	0.8379
1478	6.764	1.375
1454	6.879	11.76
1430	6.994	69.52
1403	7.127	6.383
1400	7.142	11.88
1377	7.264	5.837
1344	7.442	16.79
1298	7.705	18.97
1251	7.991	19.78
1243	8.048	8.159
1214	8.235	3.972
1200	8.333	5.161
1176	8.505	5.137
1144	8.745	9.538
1110	9.007	4.989
1092	9.153	5.325
1075	9.301	2.004
969.3	10.32	8.781
960	10.42	1.064
894	11.19	6.979
854.4	11.7	6.919
837.9	11.93	101.2
820.3	12.19	39.91
802.6	12.46	22.95
792.5	12.62	2.322
777.8	12.86	1.886
761.7	13.13	21.49
744.4	13.43	29.4
674.1	14.83	6.779
645.5	15.49	1.243
610.8	16.37	9.067
571.9	17.49	5.19
565	17.7	7.406
506.4	19.75	7.994

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.
Dipyreno-(1\',3\';10,2),(1"",3"",5,7)-pyrene

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