NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3111	3.214	0.117	A₁	0.958
3107	3.218	0.2104	B₂	0.958
3092	3.234	0.1092	A₁	0.958
3092	3.234	13.8	B₂	0.958
3089	3.237	5.73	A₁	0.958
3088	3.238	1.249	B₂	0.958
3088	3.238	9.068	A₁	0.958
3087	3.24	1.901	B₂	0.958
3075	3.252	0.1184	A₁	0.958
3075	3.252	0.1071	B₂	0.958
3072	3.256	0.357	A₁	0.958
3070	3.257	0.2029	B₂	0.958
1618	6.181	83.63	B₂	0.958
1614	6.197	41.08	A₁	0.958
1600	6.252	7.186	A₁	0.958
1600	6.252	3.177	B₂	0.958
1599	6.254	8.954	A₁	0.958
1538	6.501	1.412	B₂	0.958
1536	6.512	11.46	A₁	0.958
1503	6.655	1.491	B₂	0.958
1501	6.662	0.1958	A₁	0.958
1479	6.76	29.17	B₂	0.958
1453	6.884	3.09	A₁	0.958
1451	6.893	3.572	B₂	0.958
1435	6.968	1.022	A₁	0.958
1428	7.001	0.0011	A₁	0.958
1410	7.093	10.35	B₂	0.958
1396	7.165	24.13	B₂	0.958
1391	7.188	2.444	A₁	0.958
1380	7.246	6.902	B₂	0.958
1371	7.291	43.75	A₁	0.958
1329	7.522	5.921	B₂	0.958
1329	7.524	56.48	A₁	0.958
1303	7.674	2.008	A₁	0.958
1298	7.707	1.923	B₂	0.958
1255	7.968	0.121	B₂	0.958
1235	8.098	0	A₁	0.958
1228	8.141	0.2279	A₁	0.958
1228	8.142	4.34	B₂	0.958
1216	8.222	2.477	B₂	0.958
1195	8.369	0.7154	A₁	0.958
1193	8.381	17.38	B₂	0.958
1177	8.495	0.7033	A₁	0.958
1176	8.505	3.728	B₂	0.958
1174	8.516	0.0125	A₁	0.958
1163	8.598	11.97	B₂	0.958
1147	8.718	6.373	A₁	0.958
1147	8.721	2.361	B₂	0.958
1025	9.76	0.544	A₁	0.958
1008	9.922	0.0004	B₁	0.958
1000	9.997	0	A₂	0.958
1000	9.998	0.0084	B₁	0.958
989.3	10.11	0	A₂	0.958
985.5	10.15	0.0492	B₂	0.958
984.8	10.15	0.3323	B₁	0.958
980.7	10.2	0.002	A₁	0.958
976.5	10.24	0	A₂	0.958
933	10.72	0.1499	B₂	0.958
885	11.3	199.9	B₁	0.958
864.3	11.57	4.677	B₁	0.958
859.6	11.63	0	A₂	0.958
857.4	11.66	2.758	B₁	0.958
823.8	12.14	0	A₂	0.958
820.6	12.19	0.0832	B₁	0.958
802.5	12.46	4.156	A₁	0.958
801.8	12.47	5.28	B₂	0.958
779	12.84	0	A₂	0.958
775.5	12.9	0	A₂	0.958
772.6	12.94	0.9903	B₁	0.958
772.4	12.95	3.341	A₁	0.958
771.2	12.97	0.6897	B₂	0.958
684.5	14.61	0.8765	B₂	0.958
681.9	14.66	0.0417	A₁	0.958
673.7	14.84	0.0516	A₁	0.958
671.6	14.89	0.0375	B₁	0.958
659.1	15.17	0	A₂	0.958
646.4	15.47	0.7535	B₁	0.958
642.5	15.56	0.0684	B₂	0.958
555	18.02	0.0432	A₁	0.958
554.5	18.04	26.89	B₁	0.958
545.8	18.32	0	A₂	0.958
542.9	18.42	5.843	B₁	0.958
509.5	19.63	0	A₂	0.958
499.7	20.01	0.2137	B₂	0.958
495.8	20.17	0.0277	A₁	0.958
473.5	21.12	0.6205	B₂	0.958
470.2	21.27	0.0025	A₁	0.958
443.7	22.54	0.0703	B₁	0.958
437.1	22.88	0	A₂	0.958
382.4	26.15	1.28	A₁	0.958
381.8	26.19	1.991	B₂	0.958
367.4	27.22	0.2437	B₂	0.958
365.6	27.35	0.3053	A₁	0.958
296.9	33.69	0.0619	B₁	0.958
296.5	33.72	0	A₂	0.958
289.9	34.49	0.0136	B₁	0.958
284.1	35.2	0	A₂	0.958
213.8	46.78	0.0054	B₁	0.958
154.6	64.67	0	A₂	0.958
134.5	74.33	8.573	B₁	0.958
81.37	122.9	0	A₂	0.958
81.1	123.3	0.0498	B₁	0.958

Vibrations

Note(s):

N3b the cation with c2v

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