NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3117	3.208	0	A	0.958
3117	3.208	6.48	B₂	0.958
3098	3.228	0	B₃	0.958
3098	3.228	7.377	B₁	0.958
3092	3.234	0	A	0.958
3092	3.234	44.67	B₁	0.958
3091	3.235	19.44	B₂	0.958
3091	3.235	0	B₃	0.958
3090	3.236	0	A	0.958
3090	3.236	0.0328	B₁	0.958
3090	3.237	2.419	B₂	0.958
3089	3.237	0	B₃	0.958
3076	3.251	0	A	0.958
3076	3.251	0.0079	B₁	0.958
3075	3.252	0	B₃	0.958
3075	3.252	0.0381	B₂	0.958
3074	3.254	0	A	0.958
3073	3.254	1.338	B₁	0.958
3073	3.254	0.6374	B₂	0.958
3073	3.254	0	B₃	0.958
1605	6.23	0	A	0.958
1598	6.26	1310	B₁	0.958
1592	6.282	0	B₃	0.958
1589	6.292	3.058	B₂	0.958
1577	6.34	679.4	B₁	0.958
1574	6.354	0	A	0.958
1564	6.395	0	A	0.958
1563	6.397	862.8	B₁	0.958
1552	6.441	114.4	B₂	0.958
1546	6.469	0	B₃	0.958
1534	6.52	0	B₃	0.958
1521	6.576	34.28	B₂	0.958
1509	6.627	0	B₃	0.958
1507	6.637	0	A	0.958
1502	6.658	3.283	B₁	0.958
1494	6.695	0	A	0.958
1477	6.768	2.168	B₂	0.958
1470	6.802	9.053	B₁	0.958
1468	6.81	0	B₃	0.958
1466	6.823	0	A	0.958
1464	6.829	64.88	B₂	0.958
1462	6.84	294.3	B₁	0.958
1444	6.927	0	A	0.958
1434	6.974	31.64	B₂	0.958
1434	6.974	6.943	B₁	0.958
1430	6.993	0	B₃	0.958
1419	7.045	0	A	0.958
1418	7.052	1.888	B₂	0.958
1417	7.059	5.732	B₁	0.958
1404	7.125	0	B₃	0.958
1394	7.176	4.958	B₂	0.958
1392	7.185	0	B₃	0.958
1388	7.202	0	A	0.958
1385	7.218	0	B₃	0.958
1377	7.261	33	B₁	0.958
1375	7.272	0	A	0.958
1367	7.314	114.4	B₂	0.958
1366	7.322	477.8	B₁	0.958
1362	7.344	0	B₃	0.958
1351	7.401	0	A	0.958
1351	7.402	67.56	B₂	0.958
1336	7.482	1007	B₁	0.958
1322	7.565	63.11	B₁	0.958
1321	7.573	106.2	B₂	0.958
1311	7.629	0	B₃	0.958
1299	7.7	0.9853	B₂	0.958
1285	7.781	0	A	0.958
1272	7.859	0	A	0.958
1248	8.01	4.239	B₁	0.958
1247	8.021	0	A	0.958
1241	8.06	0	B₃	0.958
1238	8.077	35.69	B₂	0.958
1232	8.114	0	B₃	0.958
1227	8.152	122.9	B₂	0.958
1221	8.192	0	A	0.958
1219	8.203	391.3	B₁	0.958
1218	8.213	0	B₃	0.958
1215	8.227	149.3	B₂	0.958
1188	8.414	314.9	B₁	0.958
1181	8.464	0	A	0.958
1167	8.572	1.444	B₁	0.958
1166	8.579	0	B₃	0.958
1159	8.631	3.514	B₂	0.958
1157	8.641	0	B₃	0.958
1156	8.653	0	A	0.958
1153	8.67	21.2	B₂	0.958
1153	8.674	7.649	B₁	0.958
1151	8.688	0	B₃	0.958
1104	9.061	0	A	0.958
1041	9.606	181.4	B₁	0.958
1036	9.656	30.5	B₂	0.958
1032	9.691	0	A	0.958
1008	9.925	0.4157	B₃	0.958
1008	9.925	0	B₂	0.958
999.7	10	0	B₁	0.958
999.5	10.01	0.1037	B₁	0.958
999.4	10.01	0	A	0.958
992.1	10.08	0.2273	B₃	0.958
991.9	10.08	0	B₂	0.958
988.3	10.12	0	B₃	0.958
984.7	10.16	1.186	B₂	0.958
981.8	10.19	0	B₁	0.958
981.5	10.19	0	A	0.958
937.1	10.67	0	B₃	0.958
911.6	10.97	0	B₁	0.958
909	11	197	B₃	0.958
905.9	11.04	0	A	0.958
904.3	11.06	0	B₂	0.958
904	11.06	0.2922	B₂	0.958
901.5	11.09	0	A	0.958
876.2	11.41	0	B₂	0.958
875.3	11.42	110.4	B₃	0.958
848	11.79	0	A	0.958
847.7	11.8	0	B₁	0.958
811.6	12.32	0	B₂	0.958
808.2	12.37	1.486	B₁	0.958
806.9	12.39	14.29	B₃	0.958
797.1	12.55	15.16	B₁	0.958
792	12.63	0	B₃	0.958
790.8	12.65	0	A	0.958
790	12.66	0	A	0.958
789.5	12.67	0	B₁	0.958
783.4	12.77	53.15	B₂	0.958
778	12.85	0	B₃	0.958
773.4	12.93	0	B₂	0.958
772.8	12.94	0.2069	B₃	0.958
770.2	12.98	0	B₂	0.958
759.3	13.17	0	B₁	0.958
757.5	13.2	0	A	0.958
745.6	13.41	1.996	B₃	0.958
735.7	13.59	12.15	B₁	0.958
734.4	13.62	5.274	B₂	0.958
714.7	13.99	0	A	0.958
713.6	14.01	0	B₂	0.958
691.3	14.46	0	B₃	0.958
678.9	14.73	0	A	0.958
676.9	14.77	0.5901	B₃	0.958
673.9	14.84	0.0086	B₁	0.958
667.5	14.98	0	A	0.958
650.5	15.37	0	B₁	0.958
640.8	15.61	0.6292	B₂	0.958
637.6	15.68	0	B₂	0.958
635.5	15.74	0	B₃	0.958
632.6	15.81	0	A	0.958
630.5	15.86	0.2368	B₃	0.958
622.2	16.07	0	A	0.958
605.8	16.51	18.35	B₁	0.958
584.8	17.1	0	B₂	0.958
563.8	17.74	35.84	B₃	0.958
560.3	17.85	0	B₃	0.958
546.8	18.29	0	A	0.958
542.6	18.43	0	B₁	0.958
534	18.73	0	B₂	0.958
532.3	18.79	0	A	0.958
529.8	18.87	11.41	B₃	0.958
528	18.94	2.897	B₁	0.958
522.9	19.13	7.215	B₂	0.958
522.1	19.15	0	B₁	0.958
510.9	19.58	0	A	0.958
497.9	20.08	3.877	B₂	0.958
472.9	21.15	5.002	B₁	0.958
471.1	21.23	0	B₃	0.958
467.1	21.41	0	A	0.958
455.9	21.94	0	B₂	0.958
453.3	22.06	0	B₁	0.958
443.7	22.54	0	B₃	0.958
439.2	22.77	0.6203	B₃	0.958
415.1	24.09	0	A	0.958
412.2	24.26	6.807	B₂	0.958
396.5	25.22	0.0337	B₁	0.958
376.6	26.55	0	A	0.958
371.4	26.93	0	B₂	0.958
366.6	27.28	1.314	B₂	0.958
364.4	27.44	38.99	B₁	0.958
362	27.62	0	B₃	0.958
332.7	30.06	0	A	0.958
304.9	32.79	0.1591	B₃	0.958
304.4	32.85	0	B₁	0.958
298.8	33.46	0	B₂	0.958
290.7	34.4	0.8976	B₃	0.958
288	34.72	0	B₁	0.958
285.8	34.98	0	A	0.958
253.2	39.49	0	B₂	0.958
227.9	43.88	0.0456	B₃	0.958
222.2	45	0	B₃	0.958
201.7	49.57	0	A	0.958
179.9	55.58	0	A	0.958
176.8	56.58	0	B₂	0.958
164.5	60.8	0	B₁	0.958
133.7	74.78	13.7	B₃	0.958
113	88.47	0	B₂	0.958
106.6	93.82	0	A	0.958
95.55	104.7	2.551	B₃	0.958
93.81	106.6	0.6793	B₂	0.958
89.99	111.1	0	B₁	0.958
55.63	179.8	0	B₂	0.958
22.28	448.8	0.835	B₃	0.958
22	454.5	0	A	0.958

Note(s):

C48H20 dication

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