NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3423	2.922	153.4	A₁	0.958
3080	3.246	26.67	A₁	0.958
3080	3.246	11.61	B₂	0.958
3078	3.248	55.9	A₁	0.958
3078	3.249	76.39	B₂	0.958
3078	3.249	6.376	A₁	0.958
3078	3.249	15.09	B₂	0.958
3064	3.264	1.874	A₁	0.958
3063	3.264	0.3758	B₂	0.958
3061	3.267	1.024	?A	0.958
3061	3.267	1.176	?A	0.958
3060	3.268	6.889	A₁	0.958
3060	3.268	9.456	B₂	0.958
3059	3.269	0.7728	?A	0.958
3058	3.27	11.61	?A	0.958
3057	3.271	8.464	A₁	0.958
3057	3.271	3.27	B₂	0.958
3056	3.272	1.99	A₁	0.958
1609	6.216	27.08	A₁	0.958
1603	6.237	115.2	B₂	0.958
1600	6.251	65.04	B₂	0.958
1598	6.259	26.15	A₁	0.958
1590	6.289	39.34	B₂	0.958
1586	6.306	1.783	?A	0.958
1583	6.318	41.84	?A	0.958
1581	6.324	0.0924	A₁	0.958
1580	6.331	191.6	A₁	0.958
1568	6.379	1.866	B₂	0.958
1563	6.397	6.968	A₁	0.958
1554	6.434	0.4663	?A	0.958
1554	6.435	66.42	?A	0.958
1541	6.488	4.359	B₂	0.958
1510	6.621	2.413	?A	0.958
1510	6.624	14.55	?A	0.958
1500	6.665	53.73	B₂	0.958
1490	6.712	0.0035	A₁	0.958
1480	6.759	5.194	A₁	0.958
1479	6.762	4.483	B₂	0.958
1472	6.792	1.12	B₂	0.958
1467	6.816	8.038	A₁	0.958
1462	6.841	0.004	A₁	0.958
1454	6.876	2.869	A₁	0.958
1452	6.889	0.6837	B₂	0.958
1446	6.913	0.0032	B₂	0.958
1445	6.921	1.65	A₁	0.958
1437	6.96	1.313	B₂	0.958
1424	7.024	0.2281	A₁	0.958
1421	7.038	0.0314	B₂	0.958
1416	7.063	1.106	B₂	0.958
1405	7.115	4.258	A₁	0.958
1402	7.132	3.348	B₂	0.958
1399	7.15	0.2069	A₁	0.958
1396	7.163	4.833	A₁	0.958
1390	7.192	1.153	B₂	0.958
1390	7.194	6.233	B₂	0.958
1389	7.202	0.5172	B₂	0.958
1385	7.221	0.0419	B₂	0.958
1382	7.236	16.61	B₂	0.958
1373	7.281	0.4356	?A	0.958
1370	7.297	4.498	?A	0.958
1361	7.346	27.33	A₁	0.958
1359	7.358	2.154	B₂	0.958
1351	7.4	10.22	?A	0.958
1346	7.428	10.97	?A	0.958
1333	7.504	150.2	A₁	0.958
1322	7.564	0.0168	A₁	0.958
1316	7.599	13.07	A₁	0.958
1315	7.605	16.81	B₂	0.958
1307	7.651	114.4	B₂	0.958
1290	7.752	21.29	B₂	0.958
1289	7.757	80	A₁	0.958
1273	7.853	11.88	B₂	0.958
1272	7.865	71.67	A₁	0.958
1270	7.874	15.84	A₁	0.958
1269	7.879	4.74	B₂	0.958
1258	7.947	21.68	A₁	0.958
1256	7.962	1.029	B₂	0.958
1240	8.066	1.063	B₂	0.958
1237	8.081	3.894	A₁	0.958
1210	8.262	0.0266	B₂	0.958
1204	8.303	0.9269	A₁	0.958
1197	8.356	5.52	B₂	0.958
1195	8.365	4.079	A₁	0.958
1189	8.412	73	A₁	0.958
1172	8.529	12.2	B₂	0.958
1171	8.543	43.51	A₁	0.958
1170	8.547	53.73	B₂	0.958
1153	8.67	1.997	B₂	0.958
1152	8.68	0.6066	A₁	0.958
1127	8.876	8.154	A₁	0.958
1116	8.959	1.011	A₁	0.958
1113	8.983	0.1201	B₂	0.958
1094	9.139	0.0061	B₂	0.958
1091	9.167	0.2872	B₂	0.958
1027	9.74	3.002	B₂	0.958
1022	9.781	4.059	A₁	0.958
996.2	10.04	0.6105	A₁	0.958
989.5	10.11	3.794	A₁	0.958
988.8	10.11	0.0017	B₁	0.958
987.2	10.13	0	A₂	0.958
985.5	10.15	5.514	B₂	0.958
985.4	10.15	0.0342	B₁	0.958
983.1	10.17	0	A₂	0.958
978.6	10.22	0.6943	B₂	0.958
977.8	10.23	0.3118	B₁	0.958
976.3	10.24	0.462	A₁	0.958
976.1	10.24	0	A₂	0.958
918.4	10.89	147.6	B₁	0.958
911.1	10.98	0	A₂	0.958
908.1	11.01	63.59	B₁	0.958
899.7	11.12	0	A₂	0.958
897.7	11.14	2.067	B₁	0.958
886	11.29	0.6241	A₁	0.958
860.8	11.62	69.58	B₁	0.958
860.2	11.62	0.0374	B₂	0.958
839.2	11.92	4.603	B₂	0.958
837.9	11.93	1.597	?A	0.958
837.9	11.93	3.438	?A	0.958
834.9	11.98	0.0303	A₁	0.958
826.2	12.1	0	A₂	0.958
818.4	12.22	3.222	B₁	0.958
816.8	12.24	0	A₂	0.958
815.3	12.27	0.0066	A₁	0.958
810.7	12.33	0.065	B₂	0.958
807.1	12.39	13.85	B₁	0.958
798	12.53	0	A₂	0.958
792.2	12.62	54.52	B₁	0.958
781.1	12.8	0	A₂	0.958
779.5	12.83	2.067	B₁	0.958
773.2	12.93	0	A₂	0.958
772	12.95	0.4235	B₁	0.958
760.8	13.14	0	A₂	0.958
753.8	13.27	0.0482	B₂	0.958
749.6	13.34	0.3709	B₂	0.958
748.9	13.35	1.26	A₁	0.958
747.4	13.38	12.77	B₁	0.958
731.1	13.68	9.886	B₁	0.958
724.3	13.81	27.7	B₁	0.958
719	13.91	0.9423	A₁	0.958
704.2	14.2	0	A₂	0.958
701.4	14.26	3.867	B₁	0.958
696.7	14.35	1.086	B₁	0.958
696.2	14.36	0	A₂	0.958
655.6	15.25	0.438	?A	0.958
654.7	15.27	0.4789	?A	0.958
651.3	15.35	3.575	?A	0.958
650	15.38	3.605	?A	0.958
629.7	15.88	0.6941	A₁	0.958
625	16	0.0354	?A	0.958
624.8	16.01	0	A₂	0.958
623.7	16.03	1.331	?A	0.958
619.3	16.15	3.259	B₁	0.958
616.6	16.22	0.766	B₁	0.958
611.4	16.36	0	A₂	0.958
610.1	16.39	0.0726	B₁	0.958
598.3	16.71	0.1036	?A	0.958
596.4	16.77	0.2645	?A	0.958
584.8	17.1	0	A₂	0.958
575.2	17.38	0	A₂	0.958
565.8	17.67	16.09	B₁	0.958
563.1	17.76	0	A₂	0.958
562.1	17.79	16.32	B₁	0.958
560.8	17.83	1.172	A₁	0.958
558.9	17.89	0.39	B₂	0.958
535.4	18.68	0.6476	B₂	0.958
534.7	18.7	0.0594	B₂	0.958
532.9	18.76	0.0896	B₁	0.958
529.5	18.88	0	A₂	0.958
506.1	19.76	2.327	B₂	0.958
499.9	20	2.223	A₁	0.958
494.3	20.23	0.5896	B₂	0.958
482.2	20.74	0.519	A₁	0.958
467.3	21.4	0.2022	?A	0.958
465.8	21.47	0.287	?A	0.958
463.5	21.57	0.3326	B₁	0.958
445.2	22.46	0	A₂	0.958
441.6	22.64	0.5968	B₁	0.958
393.9	25.39	0	A₂	0.958
390.5	25.61	0.1561	B₁	0.958
386.8	25.85	0.1498	A₁	0.958
381.9	26.19	0	A₂	0.958
376.8	26.54	0.3324	B₁	0.958
372.5	26.84	0.02	B₂	0.958
371.6	26.91	0.652	A₁	0.958
369.1	27.09	0.0223	B₁	0.958
353.4	28.29	0	A₂	0.958
343.5	29.12	0.147	B₁	0.958
343.1	29.15	0.3873	B₂	0.958
319.3	31.32	0.0046	A₁	0.958
308.5	32.42	0	A₂	0.958
286.7	34.88	1.668	B₁	0.958
282.7	35.38	0	A₂	0.958
265.5	37.66	4.452	B₂	0.958
264.3	37.84	5.826	A₁	0.958
250.7	39.89	0.842	?A	0.958
249.2	40.13	1.99	?A	0.958
231.5	43.2	0.5064	B₁	0.958
228	43.86	0	A₂	0.958
226.8	44.09	6.608	B₁	0.958
216.8	46.13	0.2064	B₁	0.958
216.4	46.21	0	A₂	0.958
145.5	68.75	0	A₂	0.958
145.2	68.86	0.1144	B₁	0.958
127	78.75	0	A₂	0.958
126	79.36	0.0563	B₁	0.958
103.4	96.73	0.1081	B₁	0.958
78.75	127	0	A₂	0.958
51.72	193.4	5.226	B₁	0.958
42.46	235.5	0	A₂	0.958
42	238.1	0.5001	B₁	0.958

Vibrations

Note(s):

Circumcoronene with N at 23

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