NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3079	3.248	0.585	A	0.958
3079	3.248	108.4	A	0.958
3078	3.248	81.62	A	0.958
3078	3.249	1.979	A	0.958
3078	3.249	0.2982	A	0.958
3078	3.249	26.56	A	0.958
3061	3.266	0.0931	A	0.958
3061	3.267	0.0095	A	0.958
3061	3.267	0.0255	A	0.958
3061	3.267	8.928	A	0.958
3060	3.268	11.23	A	0.958
3060	3.268	0.0059	A	0.958
3058	3.27	0.0087	A	0.958
3058	3.27	14.64	A	0.958
3057	3.271	17.31	A	0.958
3057	3.271	0.0104	A	0.958
3057	3.272	0.0717	A	0.958
3057	3.272	1.225	A	0.958
1612	6.203	0.0378	A	0.958
1605	6.229	88.33	A	0.958
1605	6.232	82.55	A	0.958
1591	6.285	0.0031	A	0.958
1585	6.308	0.4006	A	0.958
1585	6.31	9.888	A	0.958
1585	6.31	1.845	A	0.958
1584	6.312	12.75	A	0.958
1569	6.374	1.034	A	0.958
1565	6.389	0.1689	A	0.958
1565	6.39	0.0146	A	0.958
1557	6.421	0.0733	A	0.958
1532	6.526	0.6792	A	0.958
1526	6.554	0.013	A	0.958
1499	6.669	0.7098	A	0.958
1492	6.703	10.88	A	0.958
1490	6.712	12.26	A	0.958
1485	6.736	0.115	A	0.958
1475	6.779	0.0742	A	0.958
1475	6.781	0.0169	A	0.958
1457	6.862	0.1156	A	0.958
1453	6.882	0.0072	A	0.958
1452	6.889	0.2773	A	0.958
1450	6.896	4.529	A	0.958
1450	6.897	6.332	A	0.958
1448	6.906	0.1346	A	0.958
1441	6.938	0	A	0.958
1422	7.032	1.583	A	0.958
1422	7.033	2.755	A	0.958
1417	7.056	0	A	0.958
1404	7.125	0.0119	A	0.958
1400	7.144	0.0439	A	0.958
1391	7.189	0.0124	A	0.958
1391	7.191	0.0007	A	0.958
1383	7.233	0.0001	A	0.958
1382	7.237	1.966	A	0.958
1381	7.242	3.458	A	0.958
1379	7.254	0.7455	A	0.958
1375	7.275	0.0035	A	0.958
1364	7.33	0.6957	A	0.958
1363	7.337	2.751	A	0.958
1356	7.372	1.512	A	0.958
1351	7.399	11.6	A	0.958
1349	7.411	6.081	A	0.958
1340	7.464	0.1186	A	0.958
1340	7.464	0.1033	A	0.958
1333	7.505	0.6032	A	0.958
1323	7.557	0.017	A	0.958
1308	7.645	0.1034	A	0.958
1305	7.665	0.0047	A	0.958
1287	7.77	0.3781	A	0.958
1278	7.823	39.11	A	0.958
1276	7.836	39.73	A	0.958
1273	7.858	5.838	A	0.958
1272	7.859	4.892	A	0.958
1272	7.859	0.3714	A	0.958
1262	7.926	0.0017	A	0.958
1261	7.932	0.0104	A	0.958
1249	8.007	0.0198	A	0.958
1232	8.114	0.001	A	0.958
1217	8.214	0.001	A	0.958
1204	8.303	0.3457	A	0.958
1196	8.362	0.314	A	0.958
1195	8.367	0.2314	A	0.958
1193	8.383	0.055	A	0.958
1192	8.387	0.0022	A	0.958
1172	8.534	15.39	A	0.958
1171	8.536	16.55	A	0.958
1160	8.619	0.4664	A	0.958
1145	8.732	0.0895	A	0.958
1144	8.743	0.0023	A	0.958
1123	8.901	0.1215	A	0.958
1105	9.048	0.1912	A	0.958
1102	9.076	0.0125	A	0.958
1090	9.178	0.0002	A	0.958
1086	9.205	0.0312	A	0.958
1020	9.804	4.885	A	0.958
1020	9.808	5.136	A	0.958
996.5	10.03	0.0053	A	0.958
989.5	10.11	0.001	A	0.958
988.1	10.12	0.0245	A	0.958
987.7	10.12	0.01	A	0.958
984.9	10.15	0.0084	A	0.958
984.6	10.16	0.0305	A	0.958
983	10.17	0	A	0.958
979	10.21	1.846	A	0.958
976.8	10.24	2.131	A	0.958
975.9	10.25	0.0073	A	0.958
975.8	10.25	0.0251	A	0.958
921	10.86	211	A	0.958
916.7	10.91	0.9143	A	0.958
915.3	10.93	0.019	A	0.958
905.9	11.04	1.067	A	0.958
904.5	11.06	0.0135	A	0.958
899	11.12	0.0163	A	0.958
884.7	11.3	0.003	A	0.958
860.1	11.63	0.0011	A	0.958
838.9	11.92	7.18	A	0.958
838.6	11.92	7.103	A	0.958
835.3	11.97	0.0068	A	0.958
835	11.98	0.0035	A	0.958
828	12.08	0	A	0.958
818.4	12.22	0.0221	A	0.958
818.4	12.22	0.0028	A	0.958
812.2	12.31	0.008	A	0.958
805.1	12.42	0.0086	A	0.958
800.2	12.5	0.0055	A	0.958
799.3	12.51	0.0004	A	0.958
794.4	12.59	0.1302	A	0.958
789.9	12.66	54.56	A	0.958
783.7	12.76	0.0485	A	0.958
776.2	12.88	0.2457	A	0.958
770.5	12.98	0.0312	A	0.958
770.2	12.98	0.0613	A	0.958
760.4	13.15	0.0004	A	0.958
751.2	13.31	0	A	0.958
745.1	13.42	0.0583	A	0.958
744.9	13.42	0.0018	A	0.958
724.5	13.8	31.45	A	0.958
721.3	13.86	0.3874	A	0.958
694.2	14.4	0.0115	A	0.958
693.4	14.42	0.2907	A	0.958
684.7	14.6	0.3304	A	0.958
654.5	15.28	0.0104	A	0.958
652.3	15.33	0.0741	A	0.958
648.1	15.43	3.369	A	0.958
647.9	15.43	3.447	A	0.958
640.7	15.61	0.1569	A	0.958
627	15.95	0.1315	A	0.958
624.1	16.02	0.0371	A	0.958
623.9	16.03	0.0236	A	0.958
621	16.1	0.0245	A	0.958
608	16.45	0.3056	A	0.958
606.7	16.48	0.0054	A	0.958
602.8	16.59	0.4078	A	0.958
596.5	16.76	0.012	A	0.958
595.5	16.79	0.0008	A	0.958
594.1	16.83	0.0436	A	0.958
579.9	17.25	0	A	0.958
577.3	17.32	0.0004	A	0.958
561.6	17.81	15.56	A	0.958
559.3	17.88	1.2	A	0.958
557.5	17.94	0.595	A	0.958
555.9	17.99	1.071	A	0.958
534.8	18.7	0.0208	A	0.958
532.1	18.79	0.0003	A	0.958
530.5	18.85	0.0374	A	0.958
529.3	18.89	0.0177	A	0.958
500.9	19.96	4.438	A	0.958
500.6	19.97	4.286	A	0.958
492.6	20.3	0.0005	A	0.958
481.7	20.76	0.0277	A	0.958
476.4	20.99	0.0625	A	0.958
474.6	21.07	0.2225	A	0.958
465.1	21.5	0.019	A	0.958
461.9	21.65	0.0111	A	0.958
459.2	21.78	0.0879	A	0.958
435.7	22.95	0.0968	A	0.958
415.7	24.06	0.0317	A	0.958
385.4	25.95	0.0168	A	0.958
383.1	26.1	0.0445	A	0.958
379.3	26.37	0.0711	A	0.958
371.7	26.9	0.0187	A	0.958
371.5	26.92	0.0018	A	0.958
370.2	27.01	0.1979	A	0.958
360.4	27.74	0.0896	A	0.958
345.4	28.95	0.0271	A	0.958
341.2	29.31	0.0547	A	0.958
340.8	29.34	0.0111	A	0.958
339.1	29.49	0.2231	A	0.958
317	31.55	0.0192	A	0.958
302.6	33.04	0	A	0.958
293	34.13	6.57	A	0.958
284.1	35.2	0.0033	A	0.958
265.5	37.67	3.732	A	0.958
265.4	37.68	3.453	A	0.958
249.3	40.12	0.0039	A	0.958
249.1	40.14	0.0001	A	0.958
241.4	41.43	11.65	A	0.958
225.5	44.34	3.83	A	0.958
214.8	46.56	0.0049	A	0.958
213.2	46.9	0.0126	A	0.958
196.7	50.85	0.0707	A	0.958
144.4	69.27	0.0717	A	0.958
142.3	70.3	0.0035	A	0.958
138.5	72.22	0.3365	A	0.958
136.3	73.35	0.1078	A	0.958
126.1	79.32	0.0444	A	0.958
102.3	97.73	0.0022	A	0.958
76.64	130.5	0.0002	A	0.958
73.38	136.3	1.402	A	0.958
48.13	207.8	1.057	A	0.958
47.14	212.1	0.6167	A	0.958
41.23	242.5	0.0067	A	0.958
38.34	260.8	0.0179	A	0.958

Vibrations

Note(s):

Fe 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