NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3084	3.242	17.86	?A	0.958
3081	3.246	42.01	?A	0.958
3080	3.246	60.17	?A	0.958
3080	3.247	39.47	?A	0.958
3080	3.247	37.7	?A	0.958
3080	3.247	2.363	?A	0.958
3064	3.264	0.2629	?A	0.958
3063	3.264	6.66	?A	0.958
3063	3.264	20.13	?A	0.958
3063	3.265	9.7	?A	0.958
3062	3.266	4.318	?A	0.958
3062	3.266	11.04	?A	0.958
3061	3.267	11.51	?A	0.958
3060	3.268	11.17	?A	0.958
3060	3.268	3.771	?A	0.958
3059	3.269	1.211	?A	0.958
3059	3.269	4.708	?A	0.958
3008	3.325	18	?A	0.958
2963	3.375	12.6	?A	0.958
2911	3.435	22.91	?A	0.958
1601	6.244	1.609	?A	0.958
1597	6.261	7.772	?A	0.958
1591	6.287	0.3247	?A	0.958
1582	6.321	0.0339	?A	0.958
1580	6.331	14.75	?A	0.958
1573	6.358	839.4	?A	0.958
1571	6.366	325.6	?A	0.958
1561	6.406	93.26	?A	0.958
1560	6.41	6.518	?A	0.958
1556	6.427	5.787	?A	0.958
1548	6.459	1.214	?A	0.958
1546	6.469	16.78	?A	0.958
1532	6.528	1.029	?A	0.958
1506	6.64	11.93	?A	0.958
1497	6.682	27.3	?A	0.958
1492	6.704	3.423	?A	0.958
1488	6.719	96.01	?A	0.958
1486	6.73	208.6	?A	0.958
1482	6.747	34.36	?A	0.958
1476	6.776	2.983	?A	0.958
1473	6.788	10.62	?A	0.958
1473	6.79	4.578	?A	0.958
1459	6.856	5.336	?A	0.958
1455	6.874	7.155	?A	0.958
1450	6.896	1.647	?A	0.958
1445	6.921	6.814	?A	0.958
1440	6.946	16.59	?A	0.958
1436	6.964	25.9	?A	0.958
1425	7.018	3.604	?A	0.958
1425	7.018	10.06	?A	0.958
1419	7.048	21.6	?A	0.958
1416	7.063	7.438	?A	0.958
1408	7.101	11.29	?A	0.958
1400	7.145	1.639	?A	0.958
1396	7.164	4.149	?A	0.958
1392	7.182	0.0576	?A	0.958
1389	7.198	1.132	?A	0.958
1389	7.202	33.06	?A	0.958
1386	7.216	4.015	?A	0.958
1384	7.226	19.98	?A	0.958
1382	7.235	2.811	?A	0.958
1380	7.248	4.405	?A	0.958
1379	7.253	14.32	?A	0.958
1372	7.286	1.252	?A	0.958
1363	7.338	72.57	?A	0.958
1355	7.381	16.14	?A	0.958
1353	7.391	68.16	?A	0.958
1349	7.414	156	?A	0.958
1334	7.498	1.584	?A	0.958
1322	7.564	13.81	?A	0.958
1316	7.597	10.14	?A	0.958
1313	7.618	202.5	?A	0.958
1303	7.675	94.05	?A	0.958
1286	7.778	14.1	?A	0.958
1283	7.795	2.56	?A	0.958
1279	7.819	2.18	?A	0.958
1275	7.846	13.53	?A	0.958
1272	7.859	23.67	?A	0.958
1263	7.921	146.3	?A	0.958
1258	7.95	1.72	?A	0.958
1245	8.029	152.4	?A	0.958
1237	8.081	39	?A	0.958
1227	8.149	4.82	?A	0.958
1214	8.235	1.078	?A	0.958
1203	8.309	47.26	?A	0.958
1198	8.345	19.92	?A	0.958
1192	8.389	0.0386	?A	0.958
1191	8.399	92.41	?A	0.958
1177	8.494	10.35	?A	0.958
1169	8.551	13.45	?A	0.958
1162	8.603	2.192	?A	0.958
1156	8.651	4.671	?A	0.958
1137	8.795	5.523	?A	0.958
1123	8.907	0.7648	?A	0.958
1119	8.94	3.35	?A	0.958
1107	9.035	0.3812	?A	0.958
1095	9.132	14.53	?A	0.958
1062	9.421	8.007	?A	0.958
1057	9.463	4.768	?A	0.958
1031	9.699	2.833	?A	0.958
1011	9.888	3.524	?A	0.958
1010	9.905	8.469	?A	0.958
993.1	10.07	0.0807	?A	0.958
988.7	10.11	0.0258	?A	0.958
987.5	10.13	0.0192	?A	0.958
985.5	10.15	0.0688	?A	0.958
984.5	10.16	20.86	?A	0.958
982.7	10.18	0.0266	?A	0.958
981.8	10.19	0.0104	?A	0.958
981.3	10.19	14.93	?A	0.958
973.1	10.28	0.3737	?A	0.958
934.1	10.71	0.8622	?A	0.958
923.2	10.83	122.1	?A	0.958
916.6	10.91	86.1	?A	0.958
914.8	10.93	0.1994	?A	0.958
905.8	11.04	0.2881	?A	0.958
902.6	11.08	0.6029	?A	0.958
896.2	11.16	1.173	?A	0.958
877.6	11.39	1.329	?A	0.958
869.8	11.5	1.364	?A	0.958
869.2	11.51	12.25	?A	0.958
857.2	11.67	0.0774	?A	0.958
838.5	11.93	2.223	?A	0.958
837.7	11.94	9.093	?A	0.958
825.5	12.11	0.0598	?A	0.958
820	12.2	0.8669	?A	0.958
819.3	12.21	1.601	?A	0.958
810.3	12.34	0.0935	?A	0.958
808.5	12.37	1.192	?A	0.958
798.3	12.53	1.943	?A	0.958
791.5	12.63	41.61	?A	0.958
785.5	12.73	1.08	?A	0.958
776.3	12.88	0.0054	?A	0.958
770.1	12.99	0.0024	?A	0.958
768.6	13.01	0.0064	?A	0.958
765.9	13.06	0.0114	?A	0.958
762.8	13.11	0.0275	?A	0.958
759.6	13.17	5.63	?A	0.958
753.3	13.27	0.0637	?A	0.958
748	13.37	0.7535	?A	0.958
729.5	13.71	1.471	?A	0.958
721.3	13.86	0.13	?A	0.958
719.4	13.9	16.02	?A	0.958
702.2	14.24	0.581	?A	0.958
699.6	14.29	0.0721	?A	0.958
698.8	14.31	0.0163	?A	0.958
694.8	14.39	0.5898	?A	0.958
692.5	14.44	0.6346	?A	0.958
687.3	14.55	32.43	?A	0.958
652	15.34	0.2392	?A	0.958
649.4	15.4	0.9471	?A	0.958
646.7	15.46	0.0895	?A	0.958
641.2	15.59	10.25	?A	0.958
633.6	15.78	0.7673	?A	0.958
631.5	15.83	0.0625	?A	0.958
624.2	16.02	0.1295	?A	0.958
616.6	16.22	0.1631	?A	0.958
613.4	16.3	0.0252	?A	0.958
609.5	16.41	0.0308	?A	0.958
608.8	16.42	0.0095	?A	0.958
606.2	16.5	1.304	?A	0.958
595.3	16.8	2.462	?A	0.958
589.1	16.98	0.0016	?A	0.958
575.7	17.37	0.0807	?A	0.958
571.4	17.5	13.5	?A	0.958
564.3	17.72	2.492	?A	0.958
563.8	17.74	4.612	?A	0.958
559.9	17.86	14.55	?A	0.958
559.6	17.87	5.151	?A	0.958
546.6	18.3	0.4708	?A	0.958
539	18.55	3.912	?A	0.958
535	18.69	0.7941	?A	0.958
531.3	18.82	1.442	?A	0.958
529.9	18.87	0.6896	?A	0.958
515.2	19.41	1.336	?A	0.958
495	20.2	2.153	?A	0.958
489.8	20.42	4.055	?A	0.958
479.8	20.84	0.5205	?A	0.958
469.7	21.29	0.9051	?A	0.958
461.4	21.67	0.4503	?A	0.958
449.8	22.23	0.3328	?A	0.958
440.4	22.7	0.0005	?A	0.958
440.1	22.72	1.235	?A	0.958
412.3	24.25	1.994	?A	0.958
398.9	25.07	0.3205	?A	0.958
383.5	26.07	0.0037	?A	0.958
381.2	26.23	0.0068	?A	0.958
379.9	26.33	0.3842	?A	0.958
379	26.39	0.0192	?A	0.958
365.4	27.37	0.0306	?A	0.958
359.4	27.82	0.1056	?A	0.958
356.7	28.04	2.24	?A	0.958
342.8	29.17	0.0044	?A	0.958
333.6	29.97	0.4287	?A	0.958
315.1	31.74	0.2085	?A	0.958
311.9	32.07	0.0409	?A	0.958
291.9	34.26	1.158	?A	0.958
289.8	34.5	0.1308	?A	0.958
285.5	35.03	0.7932	?A	0.958
263.6	37.93	5.473	?A	0.958
252.9	39.55	1.152	?A	0.958
250	40	0.012	?A	0.958
229.9	43.5	2.409	?A	0.958
225.4	44.37	0.6379	?A	0.958
220.3	45.4	2.036	?A	0.958
217.7	45.93	1.558	?A	0.958
216.9	46.11	0.0361	?A	0.958
184.9	54.1	0.0031	?A	0.958
171.2	58.4	0.8567	?A	0.958
140.9	70.98	0.0514	?A	0.958
133.7	74.79	0.0464	?A	0.958
130.8	76.48	11.98	?A	0.958
125.4	79.76	0.0001	?A	0.958
108.5	92.16	0.0068	?A	0.958
94.48	105.8	0.0008	?A	0.958
68.53	145.9	0.133	?A	0.958
49.7	201.2	4.403	?A	0.958
39.71	251.8	0.07	?A	0.958
35.16	284.4	0.1402	?A	0.958

Vibrations

Note(s):

Methylcircumcoronene cation "corner" site mccor1+

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