NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3079	3.248	0.0806	A₁	0.958
3079	3.248	105.4	E₁	0.958
3079	3.248	105.3	E₁	0.958
3078	3.248	0	E₂	0.958
3078	3.248	0	E₂	0.958
3078	3.249	0	B₁	0.958
3062	3.266	0	B₂	0.958
3062	3.266	0	E₂	0.958
3062	3.266	0	E₂	0.958
3061	3.267	9.176	E₁	0.958
3061	3.267	9.176	E₁	0.958
3060	3.268	0	A₂	0.958
3059	3.269	0.0142	A₁	0.958
3058	3.27	15.41	E₁	0.958
3058	3.27	15.42	E₁	0.958
3057	3.271	0	E₂	0.958
3057	3.271	0	E₂	0.958
3057	3.271	0	B₂	0.958
1612	6.203	0.007	A₁	0.958
1605	6.231	93.6	E₁	0.958
1605	6.231	93.61	E₁	0.958
1591	6.286	0	A₂	0.958
1586	6.305	0	E₂	0.958
1586	6.305	0	E₂	0.958
1584	6.312	13.37	E₁	0.958
1584	6.312	13.37	E₁	0.958
1569	6.373	0	B₂	0.958
1565	6.389	0	E₂	0.958
1565	6.389	0	E₂	0.958
1557	6.422	0	B₁	0.958
1535	6.515	0	E₂	0.958
1535	6.515	0	E₂	0.958
1498	6.676	0	B₁	0.958
1491	6.707	11.18	E₁	0.958
1491	6.707	11.18	E₁	0.958
1484	6.736	0	B₂	0.958
1474	6.782	0	E₂	0.958
1474	6.782	0	E₂	0.958
1457	6.863	0	B₂	0.958
1452	6.889	0	E₂	0.958
1452	6.889	0	E₂	0.958
1449	6.9	6.142	E₁	0.958
1449	6.9	6.143	E₁	0.958
1448	6.906	0.0825	A₁	0.958
1440	6.943	0	A₂	0.958
1421	7.036	2.978	E₁	0.958
1421	7.036	2.978	E₁	0.958
1417	7.058	0	A₂	0.958
1403	7.126	0.0825	A₁	0.958
1400	7.143	0	B₁	0.958
1391	7.189	0	E₂	0.958
1391	7.189	0	E₂	0.958
1383	7.228	0	A₂	0.958
1381	7.24	4.891	E₁	0.958
1381	7.24	4.892	E₁	0.958
1380	7.246	0	E₂	0.958
1380	7.246	0	E₂	0.958
1364	7.331	1.334	E₁	0.958
1364	7.331	1.334	E₁	0.958
1360	7.355	0	B₁	0.958
1349	7.415	14.79	E₁	0.958
1349	7.415	14.79	E₁	0.958
1341	7.46	0	E₂	0.958
1341	7.46	0	E₂	0.958
1329	7.522	0.0024	A₁	0.958
1323	7.56	0	B₂	0.958
1308	7.647	0	E₂	0.958
1308	7.647	0	E₂	0.958
1288	7.764	0	B₁	0.958
1278	7.826	42.56	E₁	0.958
1278	7.826	42.57	E₁	0.958
1273	7.858	7.147	E₁	0.958
1273	7.858	7.148	E₁	0.958
1272	7.859	0.0201	A₁	0.958
1261	7.928	0	E₂	0.958
1261	7.928	0	E₂	0.958
1249	8.006	0	B₁	0.958
1231	8.121	0	B₂	0.958
1217	8.219	0	A₂	0.958
1204	8.307	0.4584	A₁	0.958
1195	8.366	0.2327	E₁	0.958
1195	8.366	0.2331	E₁	0.958
1193	8.383	0	E₂	0.958
1193	8.383	0	E₂	0.958
1171	8.54	15.35	E₁	0.958
1171	8.54	15.35	E₁	0.958
1160	8.623	0	B₁	0.958
1145	8.735	0	E₂	0.958
1145	8.735	0	E₂	0.958
1122	8.909	0.7009	A₁	0.958
1105	9.046	0	E₂	0.958
1105	9.046	0	E₂	0.958
1089	9.186	0	A₂	0.958
1086	9.209	0	B₁	0.958
1020	9.807	4.766	E₁	0.958
1020	9.807	4.768	E₁	0.958
994.9	10.05	0	B₂	0.958
989.6	10.11	0	B₂	0.958
988	10.12	0	E₂	0.958
988	10.12	0	E₂	0.958
984.8	10.15	0.0074	E₁	0.958
984.8	10.15	0.0074	E₁	0.958
983	10.17	0	A₂	0.958
978.3	10.22	1.17	E₁	0.958
978.3	10.22	1.168	E₁	0.958
975.6	10.25	0	E₂	0.958
975.6	10.25	0	E₂	0.958
920.7	10.86	214.9	A₁	0.958
915.7	10.92	0.0104	E₁	0.958
915.7	10.92	0.0104	E₁	0.958
904.8	11.05	0	E₂	0.958
904.8	11.05	0	E₂	0.958
898.5	11.13	0	B₂	0.958
882.3	11.33	0	B₂	0.958
859.1	11.64	0	A₂	0.958
838.2	11.93	7.067	E₁	0.958
838.2	11.93	7.068	E₁	0.958
834.8	11.98	0	E₂	0.958
834.8	11.98	0	E₂	0.958
827.8	12.08	0	B₁	0.958
818	12.22	0	E₂	0.958
818	12.22	0	E₂	0.958
810.3	12.34	1.261	A₁	0.958
805.4	12.42	0	B₁	0.958
799.2	12.51	0.0012	E₁	0.958
799.2	12.51	0.0012	E₁	0.958
789.2	12.67	55.02	A₁	0.958
769.2	13	0	B₂	0.958
765.6	13.06	0.0242	E₁	0.958
765.6	13.06	0.0242	E₁	0.958
765.1	13.07	0	E₂	0.958
765.1	13.07	0	E₂	0.958
757.1	13.21	0	A₂	0.958
749.5	13.34	0	A₂	0.958
745.6	13.41	0	E₂	0.958
745.6	13.41	0	E₂	0.958
719.6	13.9	0	B₂	0.958
719	13.91	22.25	A₁	0.958
689.7	14.5	0.0221	E₁	0.958
689.7	14.5	0.022	E₁	0.958
652.3	15.33	0	E₂	0.958
652.3	15.33	0	E₂	0.958
647.7	15.44	3.044	E₁	0.958
647.7	15.44	3.045	E₁	0.958
646.2	15.48	0	E₂	0.958
646.2	15.48	0	E₂	0.958
627	15.95	0.0025	A₁	0.958
623.2	16.05	0.065	E₁	0.958
623.2	16.05	0.065	E₁	0.958
604.1	16.55	0	B₂	0.958
603.2	16.58	0	E₂	0.958
603.2	16.58	0	E₂	0.958
602.6	16.6	0.1538	E₁	0.958
602.6	16.6	0.1532	E₁	0.958
595.4	16.8	0	E₂	0.958
595.4	16.8	0	E₂	0.958
579.4	17.26	0	B₁	0.958
574.5	17.41	0	A₂	0.958
557.2	17.95	1.274	E₁	0.958
557.2	17.95	1.273	E₁	0.958
557.1	17.95	41.63	A₁	0.958
539.6	18.53	0	E₂	0.958
539.6	18.53	0	E₂	0.958
534.4	18.71	0	B₁	0.958
532	18.8	0	A₂	0.958
528.8	18.91	0.0197	E₁	0.958
528.8	18.91	0.0199	E₁	0.958
500.1	20	4.445	E₁	0.958
500.1	20	4.445	E₁	0.958
491.8	20.33	0	A₂	0.958
479.8	20.84	0	B₂	0.958
465	21.51	0	E₂	0.958
465	21.51	0	E₂	0.958
461.5	21.67	0	B₂	0.958
437.6	22.85	0	E₂	0.958
437.6	22.85	0	E₂	0.958
404.8	24.7	0	B₂	0.958
384.4	26.01	0	B₂	0.958
381.1	26.24	0	E₂	0.958
381.1	26.24	0	E₂	0.958
377.8	26.47	0.2981	E₁	0.958
377.8	26.47	0.2997	E₁	0.958
371.2	26.94	0	E₂	0.958
371.2	26.94	0	E₂	0.958
352.1	28.4	0	B₂	0.958
343.7	29.1	0.1273	E₁	0.958
343.7	29.1	0.1279	E₁	0.958
340.5	29.37	0	B₁	0.958
317.6	31.48	0.0131	A₁	0.958
301.2	33.2	0	A₂	0.958
300.9	33.23	15.82	A₁	0.958
283.5	35.27	0	B₁	0.958
264.8	37.77	3.433	E₁	0.958
264.8	37.77	3.434	E₁	0.958
254	39.38	14.1	A₁	0.958
249.7	40.05	0	E₂	0.958
249.7	40.05	0	E₂	0.958
226.9	44.07	0	E₂	0.958
226.9	44.07	0	E₂	0.958
213.5	46.85	0.0258	E₁	0.958
213.5	46.85	0.0259	E₁	0.958
190.9	52.38	64.45	A₁	0.958
143.2	69.81	0	E₂	0.958
143.2	69.81	0	E₂	0.958
129.9	76.95	0.2278	E₁	0.958
129.9	76.95	0.2286	E₁	0.958
101.5	98.5	0	B₂	0.958
76.38	130.9	0	B₁	0.958
62.05	161.2	2.535	E₁	0.958
62.05	161.2	2.537	E₁	0.958
51.12	195.6	1.259	A₁	0.958
40.94	244.3	0	E₂	0.958
40.94	244.3	0	E₂	0.958

Vibrations

Note(s):

Mg+ circumcoronene center

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