NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3109	3.216	38.72	A	0.958
3093	3.233	1.639	A	0.958
3089	3.237	39.04	A	0.958
3084	3.242	38.37	A	0.958
3080	3.246	33.98	A	0.958
3077	3.25	67.21	A	0.958
3077	3.25	27.1	A	0.958
3070	3.257	0.8014	A	0.958
3068	3.26	13.13	A	0.958
3065	3.263	3.939	A	0.958
3064	3.264	10.38	A	0.958
3063	3.265	2.166	A	0.958
3061	3.266	6.309	A	0.958
3060	3.268	8.575	A	0.958
3060	3.268	3.781	A	0.958
3059	3.269	8.731	A	0.958
3058	3.27	8.898	A	0.958
3057	3.271	9.497	A	0.958
3056	3.272	0.9667	A	0.958
3056	3.273	4.608	A	0.958
1651	6.057	31.61	A	0.958
1628	6.144	8.426	A	0.958
1620	6.173	19.97	A	0.958
1610	6.211	50.03	A	0.958
1607	6.224	63.6	A	0.958
1601	6.248	3.941	A	0.958
1592	6.283	24.82	A	0.958
1579	6.334	62.21	A	0.958
1571	6.363	215.3	A	0.958
1570	6.368	1.351	A	0.958
1568	6.376	4.41	A	0.958
1554	6.436	25.49	A	0.958
1552	6.444	16.17	A	0.958
1542	6.484	94.61	A	0.958
1541	6.488	116.7	A	0.958
1535	6.516	6.664	A	0.958
1529	6.542	15.72	A	0.958
1518	6.588	7.03	A	0.958
1509	6.627	28.57	A	0.958
1498	6.675	9.823	A	0.958
1490	6.713	7.636	A	0.958
1487	6.723	25.45	A	0.958
1481	6.751	20.62	A	0.958
1474	6.782	10.05	A	0.958
1473	6.79	20.95	A	0.958
1469	6.807	2.35	A	0.958
1465	6.826	5.476	A	0.958
1456	6.866	10.76	A	0.958
1454	6.879	4.227	A	0.958
1447	6.912	24.35	A	0.958
1445	6.92	2.903	A	0.958
1441	6.938	0.2643	A	0.958
1434	6.974	15.95	A	0.958
1430	6.993	10.83	A	0.958
1422	7.034	0.4982	A	0.958
1415	7.068	7.759	A	0.958
1410	7.093	0.6459	A	0.958
1409	7.096	16.09	A	0.958
1399	7.146	44.78	A	0.958
1394	7.171	1.276	A	0.958
1392	7.185	16.83	A	0.958
1387	7.212	11.52	A	0.958
1376	7.265	4.374	A	0.958
1370	7.298	14.91	A	0.958
1368	7.312	18.54	A	0.958
1365	7.326	9.462	A	0.958
1362	7.345	0.2889	A	0.958
1357	7.367	1.748	A	0.958
1355	7.382	9.643	A	0.958
1345	7.433	38.31	A	0.958
1341	7.457	17.56	A	0.958
1335	7.488	36.82	A	0.958
1334	7.499	2.175	A	0.958
1327	7.535	8.608	A	0.958
1323	7.558	35.17	A	0.958
1320	7.577	43.07	A	0.958
1313	7.618	107.1	A	0.958
1303	7.672	27.08	A	0.958
1302	7.68	28.35	A	0.958
1294	7.731	10.62	A	0.958
1283	7.795	3.375	A	0.958
1277	7.833	15.62	A	0.958
1265	7.903	30.94	A	0.958
1261	7.927	9.804	A	0.958
1259	7.942	93.37	A	0.958
1257	7.957	3.855	A	0.958
1251	7.996	18.21	A	0.958
1242	8.053	11.47	A	0.958
1240	8.063	18.96	A	0.958
1236	8.09	30.11	A	0.958
1223	8.178	107	A	0.958
1216	8.226	3.838	A	0.958
1211	8.26	3.54	A	0.958
1205	8.299	17.48	A	0.958
1195	8.371	8.508	A	0.958
1191	8.394	8.825	A	0.958
1184	8.444	7.383	A	0.958
1183	8.451	44.56	A	0.958
1180	8.476	125.3	A	0.958
1172	8.533	46.33	A	0.958
1165	8.582	57.64	A	0.958
1161	8.611	18.32	A	0.958
1158	8.632	125.7	A	0.958
1157	8.64	32.16	A	0.958
1149	8.702	134.2	A	0.958
1137	8.796	10.86	A	0.958
1124	8.898	3.572	A	0.958
1111	9.004	26.19	A	0.958
1099	9.097	2.32	A	0.958
1079	9.268	17.99	A	0.958
1068	9.368	1.373	A	0.958
1050	9.521	0.7261	A	0.958
1041	9.607	13.31	A	0.958
1031	9.7	2.859	A	0.958
1015	9.856	4.698	A	0.958
998.9	10.01	4.649	A	0.958
992.9	10.07	5.278	A	0.958
990.1	10.1	0.7724	A	0.958
986.8	10.13	0.325	A	0.958
986.3	10.14	0.1989	A	0.958
983.5	10.17	0.8004	A	0.958
982.6	10.18	0.8282	A	0.958
977.2	10.23	1.383	A	0.958
967.8	10.33	4.019	A	0.958
965.7	10.36	0.2684	A	0.958
934.6	10.7	5.571	A	0.958
919.6	10.87	101.8	A	0.958
915.4	10.92	11.46	A	0.958
913.1	10.95	38.08	A	0.958
911.9	10.97	22.77	A	0.958
907.9	11.01	29	A	0.958
902.8	11.08	2.317	A	0.958
896.8	11.15	0.9274	A	0.958
886.1	11.29	1.832	A	0.958
879.9	11.36	4.97	A	0.958
867.1	11.53	1.35	A	0.958
855	11.7	5.105	A	0.958
847.2	11.8	26.8	A	0.958
845.5	11.83	9.056	A	0.958
836.1	11.96	0.3317	A	0.958
824.1	12.13	8.174	A	0.958
823.9	12.14	1.617	A	0.958
816.1	12.25	3.736	A	0.958
813.2	12.3	1.526	A	0.958
811.8	12.32	0.4308	A	0.958
800.1	12.5	1.154	A	0.958
799.2	12.51	11.72	A	0.958
796.2	12.56	24.35	A	0.958
788.8	12.68	12.85	A	0.958
788.4	12.68	1.234	A	0.958
782.5	12.78	1.931	A	0.958
779.9	12.82	2.333	A	0.958
774.9	12.91	0.551	A	0.958
770.2	12.98	1.19	A	0.958
768.3	13.02	0.268	A	0.958
767.5	13.03	0.5422	A	0.958
762.5	13.11	3.498	A	0.958
759.3	13.17	2.112	A	0.958
741.3	13.49	8.052	A	0.958
737.7	13.56	1.145	A	0.958
736	13.59	0.73	A	0.958
727.3	13.75	0.6042	A	0.958
717	13.95	0.6346	A	0.958
712.7	14.03	0.4438	A	0.958
706.6	14.15	2.244	A	0.958
700.2	14.28	0.8306	A	0.958
697.6	14.33	1.207	A	0.958
691.8	14.46	0.5972	A	0.958
687.5	14.55	0.4993	A	0.958
683.9	14.62	1.146	A	0.958
678.6	14.74	0.7395	A	0.958
672.6	14.87	3.346	A	0.958
666.8	15	3.748	A	0.958
661	15.13	3.464	A	0.958
660	15.15	3.872	A	0.958
641.9	15.58	0.9744	A	0.958
633.7	15.78	0.1153	A	0.958
630.8	15.85	1.232	A	0.958
625.3	15.99	1.227	A	0.958
619.3	16.15	0.7723	A	0.958
613.9	16.29	2.058	A	0.958
609	16.42	1.742	A	0.958
602.7	16.59	0.4955	A	0.958
596.9	16.75	0.6279	A	0.958
596.3	16.77	3.225	A	0.958
592.4	16.88	1.162	A	0.958
590.4	16.94	15.2	A	0.958
582.3	17.17	0.868	A	0.958
581.3	17.2	1.694	A	0.958
573.5	17.44	0.7154	A	0.958
571.2	17.51	1.238	A	0.958
569.5	17.56	3.672	A	0.958
563.4	17.75	2.447	A	0.958
561	17.83	0.8347	A	0.958
553.7	18.06	1.343	A	0.958
546.8	18.29	2.83	A	0.958
544.1	18.38	0.2714	A	0.958
540.3	18.51	0.2557	A	0.958
528.8	18.91	1.181	A	0.958
525.6	19.02	0.6811	A	0.958
508	19.68	1.681	A	0.958
500.6	19.98	0.7149	A	0.958
498.5	20.06	0.24	A	0.958
478.4	20.9	1.957	A	0.958
473.5	21.12	2.783	A	0.958
463.6	21.57	0.9249	A	0.958
459.5	21.76	1.181	A	0.958
453.7	22.04	0.1432	A	0.958
448.4	22.3	0.4586	A	0.958
432.2	23.14	1.442	A	0.958
426.9	23.42	0.1307	A	0.958
418.1	23.92	0.6635	A	0.958
413.3	24.19	2.64	A	0.958
407.9	24.52	0.902	A	0.958
395.9	25.26	2.073	A	0.958
393.3	25.43	1.704	A	0.958
391.6	25.54	1.12	A	0.958
383.7	26.06	1.017	A	0.958
372.8	26.82	2.78	A	0.958
366.1	27.32	1.89	A	0.958
349.8	28.59	1.062	A	0.958
346.8	28.84	1.368	A	0.958
335.2	29.84	3.011	A	0.958
333	30.03	0.217	A	0.958
320	31.25	0.4884	A	0.958
318.7	31.37	0.7912	A	0.958
311.3	32.12	0.4135	A	0.958
303.5	32.95	0.3957	A	0.958
296.6	33.72	0.242	A	0.958
281.6	35.52	0.4471	A	0.958
268.2	37.29	1.348	A	0.958
261.2	38.29	7.072	A	0.958
258	38.76	0.213	A	0.958
248	40.33	0.6222	A	0.958
239.7	41.71	1.947	A	0.958
228.8	43.71	0.9834	A	0.958
220.7	45.31	0.2399	A	0.958
208.6	47.94	2.184	A	0.958
205.1	48.75	1.126	A	0.958
182.8	54.71	0.8168	A	0.958
179.9	55.59	2.619	A	0.958
170.7	58.59	0.3201	A	0.958
155.5	64.32	0.0514	A	0.958
129.7	77.12	0.2397	A	0.958
117.2	85.36	0.3916	A	0.958
110.3	90.62	0.2022	A	0.958
98.59	101.4	0.0847	A	0.958
77.66	128.8	2.419	A	0.958
67.38	148.4	0.7453	A	0.958
58.17	171.9	0.7747	A	0.958
35.39	282.6	0.0145	A	0.958
28.95	345.5	0.0558	A	0.958

Vibrations

Note(s):

C66h20 7_5 defect site 1 aromatic c-OV-d2+

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