NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3066	3.262	0.7316	A₁	0.958
3066	3.262	336.1	B₂	0.958
3065	3.263	132.2	A₁	0.958
3065	3.263	0.0565	B₂	0.958
3063	3.265	53.82	A₁	0.958
3063	3.265	4.62	B₂	0.958
3049	3.279	34.13	A₁	0.958
3049	3.28	65.7	A₁	0.958
3047	3.282	2.354	B₂	0.958
3046	3.282	23.2	A₁	0.958
3046	3.283	1.182	B₂	0.958
3046	3.283	6.825	B₂	0.958
3045	3.284	0.5604	A₁	0.958
3044	3.285	27.1	B₂	0.958
3044	3.285	10.8	A₁	0.958
3044	3.286	0.0692	A₁	0.958
3043	3.286	0.5499	B₂	0.958
3043	3.287	3.118	B₂	0.958
3042	3.287	0.199	A₁	0.958
3042	3.288	1.732	A₁	0.958
3041	3.288	1.627	B₂	0.958
1610	6.212	5.216	B₂	0.958
1607	6.224	3.735	A₁	0.958
1598	6.258	28.22	B₂	0.958
1596	6.267	8.467	A₁	0.958
1592	6.281	10.13	A₁	0.958
1584	6.314	0.0012	B₂	0.958
1577	6.34	14.03	B₂	0.958
1576	6.344	3.615	A₁	0.958
1571	6.364	1.082	A₁	0.958
1566	6.387	0.188	?A	0.958
1566	6.387	0.4867	?A	0.958
1558	6.42	0.5167	B₂	0.958
1550	6.451	5.62	A₁	0.958
1544	6.478	0.2052	B₂	0.958
1538	6.503	2.684	A₁	0.958
1530	6.537	9.265	B₂	0.958
1515	6.601	0.5183	B₂	0.958
1513	6.608	1.11	A₁	0.958
1496	6.686	2.75	B₂	0.958
1493	6.697	0.0938	A₁	0.958
1485	6.736	14.25	B₂	0.958
1485	6.736	1.38	A₁	0.958
1476	6.776	0	B₂	0.958
1475	6.778	0.0146	A₁	0.958
1474	6.784	0	A₁	0.958
1463	6.834	1.296	A₁	0.958
1462	6.842	0.3556	B₂	0.958
1451	6.894	0.009	B₂	0.958
1449	6.902	0.0085	A₁	0.958
1446	6.915	4.941	B₂	0.958
1435	6.968	2.304	A₁	0.958
1431	6.989	0.1525	B₂	0.958
1426	7.015	0	A₁	0.958
1425	7.017	1.039	B₂	0.958
1424	7.024	0.0261	A₁	0.958
1417	7.056	0.0008	B₂	0.958
1412	7.083	14.4	A₁	0.958
1407	7.11	3.827	A₁	0.958
1406	7.113	2.894	B₂	0.958
1398	7.154	0.0349	A₁	0.958
1396	7.161	0.3868	B₂	0.958
1395	7.169	0.1215	B₂	0.958
1388	7.202	2.666	B₂	0.958
1384	7.223	0.5845	A₁	0.958
1384	7.224	0.1021	B₂	0.958
1380	7.248	0.2674	A₁	0.958
1374	7.278	0.5578	B₂	0.958
1372	7.29	0.4294	B₂	0.958
1368	7.309	1.68	A₁	0.958
1365	7.325	0.4238	A₁	0.958
1362	7.341	0.2078	B₂	0.958
1361	7.348	0.0553	A₁	0.958
1356	7.374	2.932	A₁	0.958
1354	7.388	0.3127	B₂	0.958
1346	7.428	29.44	B₂	0.958
1343	7.447	3.499	B₂	0.958
1338	7.476	2.324	A₁	0.958
1335	7.493	0.11	A₁	0.958
1329	7.526	0.7295	A₁	0.958
1322	7.562	5.816	B₂	0.958
1312	7.62	4.207	B₂	0.958
1306	7.658	1.721	A₁	0.958
1296	7.716	0.4102	A₁	0.958
1292	7.739	0.0209	B₂	0.958
1288	7.763	0.192	A₁	0.958
1277	7.83	0.5304	B₂	0.958
1274	7.85	2.517	A₁	0.958
1260	7.94	0.6611	B₂	0.958
1253	7.978	2.244	A₁	0.958
1251	7.995	20.81	B₂	0.958
1237	8.083	0.5031	A₁	0.958
1231	8.121	1.783	B₂	0.958
1227	8.15	6.156	A₁	0.958
1221	8.19	0.1689	B₂	0.958
1215	8.231	0.2309	A₁	0.958
1208	8.279	0.0284	B₂	0.958
1202	8.32	0.18	B₂	0.958
1198	8.351	1.738	A₁	0.958
1185	8.436	0.1197	B₂	0.958
1182	8.457	0.4289	A₁	0.958
1181	8.467	8.185	B₂	0.958
1181	8.469	8.338	A₁	0.958
1174	8.517	11.02	A₁	0.958
1169	8.552	10.16	B₂	0.958
1164	8.592	0.2556	B₂	0.958
1155	8.658	0.0557	B₂	0.958
1155	8.662	0.0152	A₁	0.958
1141	8.764	2.013	A₁	0.958
1140	8.774	0.1017	B₂	0.958
1114	8.978	2.949	A₁	0.958
1093	9.146	0.098	B₂	0.958
1082	9.244	0.0862	B₂	0.958
1080	9.259	1.338	A₁	0.958
1069	9.351	0.6161	A₁	0.958
1042	9.599	0.0708	B₂	0.958
1035	9.666	0.6125	B₂	0.958
1034	9.67	0.2057	A₁	0.958
1022	9.785	2.754	A₁	0.958
976.7	10.24	0.0054	B₁	0.958
976.5	10.24	0	A₂	0.958
973	10.28	0.0563	B₁	0.958
973	10.28	0	A₂	0.958
966.4	10.35	0.0239	B₂	0.958
958.9	10.43	0.0548	B₁	0.958
958.9	10.43	0	A₂	0.958
942.6	10.61	0.1408	A₁	0.958
933.6	10.71	0.8937	B₂	0.958
916.6	10.91	0.0506	A₁	0.958
911.1	10.98	93.63	B₁	0.958
905.4	11.05	0.2354	B₂	0.958
897.4	11.14	0.1516	A₁	0.958
895.9	11.16	0	A₂	0.958
894	11.19	150.4	B₁	0.958
889.1	11.25	12.31	B₁	0.958
882.2	11.33	0	A₂	0.958
878.8	11.38	7.619	B₂	0.958
878.8	11.38	0	A₂	0.958
858.6	11.65	0.001	B₂	0.958
854.2	11.71	1.604	A₁	0.958
851.5	11.74	3.982	A₁	0.958
850.7	11.76	8.025	B₁	0.958
842.9	11.86	2.637	B₁	0.958
833.8	11.99	0	A₂	0.958
826.5	12.1	29.42	B₁	0.958
818.4	12.22	1.695	A₁	0.958
808	12.38	0.1989	B₂	0.958
805.7	12.41	0	A₂	0.958
795.8	12.57	0.0037	A₁	0.958
795.6	12.57	0	A₂	0.958
794.5	12.59	14.68	B₁	0.958
784	12.75	1.448	B₁	0.958
780.8	12.81	0	A₂	0.958
779.9	12.82	5.843	B₁	0.958
777.8	12.86	0	A₂	0.958
775.9	12.89	0.2177	B₁	0.958
768.2	13.02	0	A₂	0.958
766.1	13.05	0.5142	B₁	0.958
765.1	13.07	0.0007	B₂	0.958
756.2	13.22	3.166	B₁	0.958
754.9	13.25	0.8933	A₁	0.958
749	13.35	0	A₂	0.958
745.3	13.42	4.286	B₂	0.958
733.4	13.64	0.0434	B₂	0.958
732.6	13.65	0.0806	B₁	0.958
731.3	13.67	0	A₂	0.958
726.9	13.76	0.3947	A₁	0.958
719.9	13.89	0.2359	B₁	0.958
718.3	13.92	0	A₂	0.958
707	14.14	1.942	B₁	0.958
705	14.18	0.0023	B₂	0.958
694.8	14.39	0	A₂	0.958
687.4	14.55	0.1138	A₁	0.958
685.6	14.59	0.1906	A₁	0.958
681.7	14.67	5.769	B₁	0.958
679.1	14.72	0.2177	B₂	0.958
675.7	14.8	0	A₂	0.958
657.9	15.2	0.3347	B₁	0.958
657.9	15.2	0.5147	B₂	0.958
646.9	15.46	0.1192	A₁	0.958
629.3	15.89	0.0973	A₁	0.958
626.7	15.96	0.6827	B₂	0.958
624.1	16.02	0	A₂	0.958
619.2	16.15	14.74	B₁	0.958
613	16.31	0.3195	A₁	0.958
612.8	16.32	0	A₂	0.958
608.2	16.44	0.0009	B₁	0.958
600.5	16.65	0.3237	B₂	0.958
599.8	16.67	1.09	A₁	0.958
595.8	16.78	2.268	B₁	0.958
592.6	16.87	0	A₂	0.958
582.7	17.16	0.3235	B₂	0.958
581.4	17.2	9.952	B₁	0.958
577.9	17.3	0	A₂	0.958
576.9	17.33	0.0967	B₂	0.958
572	17.48	0	A₂	0.958
569.9	17.55	0.0085	A₁	0.958
561.3	17.82	2.445	B₁	0.958
560.7	17.83	0.1791	A₁	0.958
549.8	18.19	0.1529	B₁	0.958
545.9	18.32	0	A₂	0.958
541.9	18.45	0.8371	B₂	0.958
535.3	18.68	0.0089	A₁	0.958
533.9	18.73	0.0028	B₁	0.958
527.6	18.95	0.421	B₂	0.958
518.8	19.27	0.9117	B₂	0.958
509.7	19.62	0	A₂	0.958
497	20.12	0.0132	B₂	0.958
482.2	20.74	0.0645	B₁	0.958
479.9	20.84	0.5351	A₁	0.958
474.7	21.07	0.6144	A₁	0.958
468.7	21.34	0	A₂	0.958
452.3	22.11	0.024	B₂	0.958
449.3	22.25	0.4594	A₁	0.958
435	22.99	0.0051	B₁	0.958
429	23.31	0.0106	B₂	0.958
412.1	24.26	0	A₂	0.958
408.5	24.48	0.0105	B₁	0.958
399.2	25.05	0.3605	B₁	0.958
398.6	25.09	1.146	B₂	0.958
397.2	25.18	0	A₂	0.958
389.5	25.67	1.678	A₁	0.958
380.1	26.31	0	A₂	0.958
362.7	27.57	0.1662	B₁	0.958
350.2	28.56	0	A₂	0.958
346.2	28.89	1.083	A₁	0.958
344.7	29.01	10.4	B₂	0.958
334.4	29.91	0.0821	A₁	0.958
332.4	30.08	0.0702	B₁	0.958
325.6	30.71	0	A₂	0.958
323	30.96	1.134	B₁	0.958
316.2	31.63	6.798	B₁	0.958
314	31.85	0.1503	B₂	0.958
311.9	32.06	0	A₂	0.958
305.8	32.7	0.0333	A₁	0.958
299.1	33.44	2.286	B₂	0.958
280	35.71	0.1816	B₁	0.958
269.8	37.07	0	A₂	0.958
244	40.98	0	A₂	0.958
238.6	41.92	0.01	B₁	0.958
216.5	46.19	0.1989	B₂	0.958
208.1	48.05	0	A₂	0.958
206.4	48.45	0.1584	B₁	0.958
205.4	48.68	0.1695	A₁	0.958
185.4	53.93	0	A₂	0.958
185.3	53.97	0.202	B₁	0.958
166.4	60.08	0.1782	B₁	0.958
151.5	66.01	2.14	A₁	0.958
149.4	66.93	0	A₂	0.958
138.4	72.27	1.488	B₁	0.958
118.1	84.7	0	A₂	0.958
99.88	100.1	0.3909	B₁	0.958
86.05	116.2	0	A₂	0.958
66.49	150.4	1.089	B₁	0.958
61.01	163.9	0.8367	B₁	0.958
58.01	172.4	0	A₂	0.958
27.22	367.4	0	A₂	0.958
23.15	431.9	0.2957	B₁	0.958

Vibrations

Note(s):

C67H21

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