NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3104	3.221	22.69	A₁	0.958
3102	3.224	55.04	B₂	0.958
3088	3.238	4.043	A₁	0.958
3085	3.242	1.908	B₂	0.958
3071	3.256	0.0363	A₁	0.958
3068	3.259	57.42	B₂	0.958
3068	3.26	89.45	A₁	0.958
3065	3.263	8.515	A₁	0.958
3054	3.274	1.672	B₂	0.958
3050	3.278	0.4554	B₂	0.958
3050	3.279	4.402	A₁	0.958
3044	3.286	1.984	B₂	0.958
1615	6.192	0.9984	A₁	0.958
1598	6.258	0.0894	B₂	0.958
1590	6.29	13.2	B₂	0.958
1581	6.325	0.7588	A₁	0.958
1567	6.383	2.179	B₂	0.958
1556	6.426	0.0169	A₁	0.958
1511	6.617	3.949	A₁	0.958
1499	6.671	0.2162	B₂	0.958
1472	6.793	0.0249	B₂	0.958
1465	6.825	19.02	A₁	0.958
1440	6.947	9.07	A₁	0.958
1431	6.988	0.8586	B₂	0.958
1406	7.114	14.89	B₂	0.958
1394	7.171	1.589	A₁	0.958
1352	7.395	0.4222	B₂	0.958
1324	7.555	2.413	A₁	0.958
1318	7.59	4.519	A₁	0.958
1314	7.611	4.034	B₂	0.958
1297	7.712	0.1639	A₁	0.958
1275	7.843	1.741	B₂	0.958
1251	7.992	0.6202	A₁	0.958
1248	8.012	0.2524	B₂	0.958
1214	8.234	0.0312	A₁	0.958
1207	8.287	0.9276	B₂	0.958
1203	8.312	4.009	A₁	0.958
1183	8.45	0.0299	A₁	0.958
1162	8.603	2.063	A₁	0.958
1160	8.619	2.025	B₂	0.958
1108	9.023	2.985	B₂	0.958
1087	9.2	0.2328	A₁	0.958
1077	9.285	0.7625	B₂	0.958
1069	9.35	0.6054	A₁	0.958
1037	9.645	3.402	A₁	0.958
998.5	10.02	0.353	B₂	0.958
984.5	10.16	0	A₂	0.958
980.1	10.2	0	A₂	0.958
973.5	10.27	1.722	B₁	0.958
966.1	10.35	0	A₂	0.958
946.6	10.56	0.9665	B₂	0.958
939.7	10.64	0.2665	B₁	0.958
898.5	11.13	6.425	B₁	0.958
891.9	11.21	0	A₂	0.958
869.9	11.5	0.2059	A₁	0.958
860.8	11.62	0	A₂	0.958
831.7	12.02	68.72	B₁	0.958
822.9	12.15	0	A₂	0.958
779.6	12.83	0.1227	A₁	0.958
776	12.89	1.748	B₂	0.958
771.9	12.96	9.095	B₁	0.958
767.4	13.03	0	A₂	0.958
750.7	13.32	91.6	B₁	0.958
737.7	13.56	0	A₂	0.958
713.2	14.02	0.0353	B₂	0.958
703.9	14.21	6.791	B₁	0.958
651.2	15.36	3.357	A₁	0.958
643.9	15.53	0	A₂	0.958
621.3	16.09	0.0078	B₂	0.958
569.3	17.57	6.499	B₁	0.958
566.8	17.64	0	A₂	0.958
563.3	17.75	0.384	B₂	0.958
557.2	17.95	4.775	A₁	0.958
527.1	18.97	0	A₂	0.958
507.1	19.72	1.075	B₂	0.958
490.7	20.38	0.5826	B₁	0.958
450.1	22.22	0.4577	A₁	0.958
429.1	23.3	0.677	B₁	0.958
422.5	23.67	0	A₂	0.958
404.6	24.72	0.0019	B₂	0.958
380.2	26.3	0.8071	A₁	0.958
336.1	29.75	0.2754	A₁	0.958
287.2	34.82	0	A₂	0.958
276.3	36.19	0.5167	B₁	0.958
251.1	39.83	0.2975	B₂	0.958
220.2	45.42	1.793	B₁	0.958
159.7	62.63	0	A₂	0.958
125.3	79.81	2.671	B₁	0.958
78.91	126.7	0	A₂	0.958
51.59	193.8	0.0029	B₁	0.958

Note(s):

Benzo[e]pyrene BP closed shell

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