NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3067	3.261	133	A₁	0.958
3066	3.262	30.43	A₁	0.958
3066	3.262	183.8	B₂	0.958
3065	3.263	12.28	B₂	0.958
3064	3.264	91.08	A₁	0.958
3064	3.264	12.25	B₂	0.958
3049	3.28	3.174	A₁	0.958
3049	3.28	47.06	B₂	0.958
3047	3.282	6.76	A₁	0.958
3046	3.283	26.25	B₂	0.958
3046	3.283	8.929	A₁	0.958
3045	3.284	15.22	B₂	0.958
3044	3.285	1.875	A₁	0.958
3043	3.286	1.882	B₂	0.958
3043	3.287	5.285	A₁	0.958
3043	3.287	0.0049	B₂	0.958
3041	3.288	47.13	A₁	0.958
3041	3.288	0.0024	B₂	0.958
2876	3.477	15.62	B₁	0.958
2860	3.497	58.07	A₁	0.958
1616	6.189	3.289	A₁	0.958
1613	6.2	5.317	B₂	0.958
1605	6.232	11.23	A₁	0.958
1601	6.247	11	A₁	0.958
1601	6.248	1.892	B₂	0.958
1582	6.321	7.945	B₂	0.958
1582	6.321	28.67	A₁	0.958
1577	6.342	2.569	A₁	0.958
1573	6.359	13.41	B₂	0.958
1567	6.38	0.1735	A₁	0.958
1564	6.396	0.0022	A₁	0.958
1559	6.413	4.283	B₂	0.958
1552	6.442	5.417	A₁	0.958
1546	6.47	4.501	B₂	0.958
1533	6.522	6.884	A₁	0.958
1518	6.588	0.1617	B₂	0.958
1511	6.619	0.8646	B₂	0.958
1499	6.669	6.105	A₁	0.958
1497	6.682	0.0012	B₂	0.958
1494	6.694	3.944	B₂	0.958
1480	6.759	0.1867	B₂	0.958
1479	6.761	0.7124	A₁	0.958
1466	6.823	1.481	A₁	0.958
1461	6.843	0.4616	B₂	0.958
1455	6.875	16.36	A₁	0.958
1448	6.904	1.101	B₂	0.958
1446	6.913	1.983	A₁	0.958
1441	6.94	5.516	A₁	0.958
1432	6.985	0.0012	B₂	0.958
1429	6.996	14.37	A₁	0.958
1426	7.013	0.3023	A₁	0.958
1425	7.018	2.246	B₂	0.958
1420	7.044	0.3904	B₂	0.958
1419	7.049	0.136	A₁	0.958
1397	7.16	0.8364	B₂	0.958
1395	7.168	0.0265	A₁	0.958
1391	7.191	0.4813	B₂	0.958
1388	7.205	6.682	A₁	0.958
1387	7.211	0.4282	B₂	0.958
1384	7.225	0.9254	B₂	0.958
1382	7.235	0.1972	A₁	0.958
1377	7.263	5.756	A₁	0.958
1368	7.311	0.0103	B₂	0.958
1365	7.327	8.774	A₁	0.958
1362	7.343	0.374	B₂	0.958
1362	7.344	1.12	A₁	0.958
1358	7.364	0.0057	A₁	0.958
1355	7.381	2.313	B₂	0.958
1340	7.462	0.6819	B₂	0.958
1338	7.471	0.4793	A₁	0.958
1333	7.502	3.556	B₂	0.958
1327	7.537	0.5931	A₁	0.958
1325	7.55	7.932	B₂	0.958
1315	7.602	0.3269	B₂	0.958
1311	7.626	34.8	A₁	0.958
1300	7.693	0.4933	A₁	0.958
1296	7.719	1.777	B₂	0.958
1288	7.766	0.1006	A₁	0.958
1282	7.803	1.082	B₂	0.958
1269	7.882	1.899	A₁	0.958
1268	7.887	7.58	B₂	0.958
1253	7.979	14.26	A₁	0.958
1235	8.099	0.0407	B₂	0.958
1229	8.135	8.482	B₂	0.958
1227	8.149	12.94	A₁	0.958
1218	8.207	1.125	B₂	0.958
1215	8.231	4.003	A₁	0.958
1207	8.284	0	A₂	0.958
1200	8.333	1.49	B₂	0.958
1196	8.359	0.0669	A₁	0.958
1196	8.359	0.3295	B₂	0.958
1191	8.398	18.2	A₁	0.958
1187	8.426	0.8388	B₂	0.958
1186	8.432	0.5932	A₁	0.958
1170	8.546	0.0003	A₁	0.958
1170	8.547	3.001	B₂	0.958
1159	8.625	8.729	B₂	0.958
1155	8.656	2.784	A₁	0.958
1147	8.716	2.017	B₂	0.958
1129	8.859	2.668	B₂	0.958
1114	8.977	0.2422	A₁	0.958
1110	9.011	3.871	A₁	0.958
1092	9.16	2.204	B₂	0.958
1087	9.203	0.8831	A₁	0.958
1076	9.294	1.488	B₂	0.958
1025	9.758	0.3338	A₁	0.958
1016	9.838	6.376	A₁	0.958
995.2	10.05	2.305	B₂	0.958
976.5	10.24	0.06	B₁	0.958
976.2	10.24	0	A₂	0.958
975.5	10.25	0.1471	A₁	0.958
974.2	10.26	1.264	B₂	0.958
974.1	10.27	0.0203	B₁	0.958
969.9	10.31	0.6217	B₁	0.958
961.6	10.4	0.4466	A₁	0.958
959.8	10.42	0	A₂	0.958
955.7	10.46	0	A₂	0.958
934	10.71	0.3334	B₂	0.958
933.3	10.71	17.04	B₁	0.958
910.5	10.98	0.8299	B₂	0.958
905.7	11.04	142.1	B₁	0.958
903.5	11.07	0	A₂	0.958
895.9	11.16	0.0019	A₁	0.958
889	11.25	0	A₂	0.958
888.2	11.26	32.43	B₁	0.958
864.1	11.57	10.88	B₁	0.958
858.4	11.65	0	A₂	0.958
856.8	11.67	2.799	A₁	0.958
833.4	12	0.0021	B₂	0.958
830	12.05	0	B₂	0.958
825.5	12.11	5.642	A₁	0.958
825.4	12.12	23.14	B₁	0.958
816.9	12.24	0	A₂	0.958
810.9	12.33	9.722	B₁	0.958
804.9	12.42	8.516	B₂	0.958
789.7	12.66	0	A₂	0.958
788.9	12.68	0.5252	A₁	0.958
785.7	12.73	21.1	B₁	0.958
782.4	12.78	4.618	B₁	0.958
780	12.82	0	A₂	0.958
773	12.94	5.673	A₁	0.958
770.7	12.98	3.404	B₁	0.958
768.4	13.01	1.903	B₂	0.958
765	13.07	0	A₂	0.958
763.1	13.1	0	A₂	0.958
758.4	13.19	6.382	B₁	0.958
748.5	13.36	0	A₂	0.958
746.4	13.4	0.4792	B₂	0.958
740.1	13.51	0.9854	B₁	0.958
732.7	13.65	1.021	A₁	0.958
722.3	13.84	0.036	B₁	0.958
718.9	13.91	0.0068	B₂	0.958
710.3	14.08	0	A₂	0.958
709	14.1	4.088	A₁	0.958
706.3	14.16	3.784	B₁	0.958
694.9	14.39	0	A₂	0.958
687	14.56	0.0369	B₁	0.958
681.4	14.68	0.1101	B₁	0.958
673.5	14.85	1.09	A₁	0.958
659.6	15.16	0	B₂	0.958
655.9	15.25	0	A₂	0.958
651.2	15.36	0.2661	B₂	0.958
643.7	15.54	0.0101	A₁	0.958
626.8	15.95	1.402	A₁	0.958
622.5	16.07	0.6496	B₂	0.958
613	16.31	9.03	A₁	0.958
611	16.37	0.2131	B₁	0.958
609.5	16.41	0	A₂	0.958
607.5	16.46	1.324	B₁	0.958
602.3	16.6	0	A₂	0.958
595.4	16.8	0.4742	B₂	0.958
592.1	16.89	7.566	B₁	0.958
586.9	17.04	5.204	A₁	0.958
572.1	17.48	3.305	B₁	0.958
570.8	17.52	0	A₂	0.958
561.7	17.8	1.267	B₂	0.958
560.4	17.84	0	A₂	0.958
558.3	17.91	11.26	B₁	0.958
557.1	17.95	0.0047	B₂	0.958
545.4	18.33	0.0001	A₁	0.958
538.9	18.55	1.721	B₁	0.958
536.4	18.64	0	A₂	0.958
530.3	18.86	0.0552	B₁	0.958
526.7	18.99	0.3105	B₂	0.958
526.2	19	4.252	A₁	0.958
515.8	19.39	0.7197	B₂	0.958
486.1	20.57	1.078	B₂	0.958
484.1	20.66	0.7579	A₁	0.958
483.9	20.66	0	A₂	0.958
471.3	21.22	0.3079	A₁	0.958
467.4	21.4	0.0235	B₂	0.958
450.5	22.2	0	A₂	0.958
440.2	22.72	0.0107	A₁	0.958
418.8	23.88	0.006	B₁	0.958
416.6	24	0.0498	B₂	0.958
398.7	25.08	1.017	A₁	0.958
398.3	25.11	0.0195	B₁	0.958
394.5	25.35	0	A₂	0.958
384.3	26.02	0	A₂	0.958
381.3	26.22	1.993	B₁	0.958
369.5	27.07	0.0075	A₁	0.958
367.3	27.23	0.0239	B₁	0.958
358.6	27.89	0	A₂	0.958
349.9	28.58	1.133	B₁	0.958
343.3	29.13	0.694	B₂	0.958
326.5	30.62	0	A₂	0.958
325.6	30.72	1.062	B₂	0.958
304.3	32.87	0.573	B₁	0.958
301.7	33.14	0.0024	A₁	0.958
289.2	34.57	0	A₂	0.958
275.3	36.32	0.3067	B₁	0.958
267.7	37.35	8.614	A₁	0.958
247.1	40.46	0	A₂	0.958
246.3	40.6	2.995	B₁	0.958
244.2	40.95	0.0019	B₂	0.958
230.9	43.32	0.0806	A₁	0.958
229	43.66	0	A₂	0.958
220.8	45.3	3.038	B₁	0.958
218.4	45.79	2.191	B₂	0.958
186.5	53.61	0	A₂	0.958
185.2	54	1.103	B₁	0.958
160	62.49	0.0278	B₁	0.958
130.9	76.42	0.1917	B₁	0.958
130.2	76.83	0	A₂	0.958
119.3	83.84	0	A₂	0.958
89.72	111.5	0.1794	B₁	0.958
72.34	138.2	2.564	B₁	0.958
68.76	145.4	0	A₂	0.958
45.19	221.3	0.5463	B₁	0.958
37.25	268.4	0	A₂	0.958
28	357.1	0.2039	B₁	0.958

Vibrations

Note(s):

Isomer a De= 44.99 c59h20a

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