NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3072	3.255	44.3	A₁	0.958
3072	3.255	37	B₂	0.958
3067	3.261	9.1	A₁	0.958
3067	3.261	89.6	B₂	0.958
3066	3.261	150	A₁	0.958
3066	3.262	104	B₂	0.958
3065	3.262	3.87	A₁	0.958
3049	3.28	0.116	A₁	0.958
3049	3.28	51.2	B₂	0.958
3047	3.282	14.9	B₂	0.958
3047	3.282	5.72	A₁	0.958
3047	3.282	13.7	B₂	0.958
3046	3.283	12.7	A₁	0.958
3045	3.284	1.11	B₂	0.958
3045	3.285	15.3	A₁	0.958
3044	3.285	0.771	B₂	0.958
3043	3.286	1.23	A₁	0.958
3043	3.286	1.32	B₂	0.958
2019	4.952	0.061	A₁	0.958
1614	6.197	4.4	A₁	0.958
1609	6.213	23	B₂	0.958
1604	6.236	5.56	A₁	0.958
1603	6.237	0.0019	B₂	0.958
1594	6.273	5.88	B₂	0.958
1594	6.274	36.5	A₁	0.958
1590	6.289	24.3	B₂	0.958
1581	6.323	4.89	B₂	0.958
1578	6.338	6.03	A₁	0.958
1577	6.341	0.102	A₁	0.958
1572	6.361	0.0918	B₂	0.958
1559	6.415	4.89	B₂	0.958
1558	6.417	0.759	A₁	0.958
1550	6.45	1.6	B₂	0.958
1538	6.501	0.373	A₁	0.958
1519	6.583	12.9	B₂	0.958
1512	6.614	5.21	A₁	0.958
1501	6.664	1.46	A₁	0.958
1486	6.73	3.88	B₂	0.958
1485	6.733	0.149	A₁	0.958
1481	6.753	3.68	B₂	0.958
1477	6.77	3.79	A₁	0.958
1477	6.77	0.871	B₂	0.958
1470	6.801	2.46	A₁	0.958
1468	6.813	0.0366	B₂	0.958
1459	6.856	0.131	B₂	0.958
1452	6.887	0.25	A₁	0.958
1446	6.918	6.66	A₁	0.958
1439	6.951	4.02	A₁	0.958
1436	6.963	0.655	B₂	0.958
1435	6.971	0.0007	B₂	0.958
1429	6.996	0.0083	B₂	0.958
1423	7.025	0.0211	A₁	0.958
1422	7.033	0.374	B₂	0.958
1405	7.117	0.0209	B₂	0.958
1403	7.127	0.703	A₁	0.958
1400	7.143	0.0314	A₁	0.958
1394	7.176	0.369	B₂	0.958
1392	7.185	2.36	A₁	0.958
1392	7.186	1.01	B₂	0.958
1388	7.205	14.3	A₁	0.958
1384	7.225	2.56	B₂	0.958
1383	7.229	0.134	A₁	0.958
1381	7.242	0.0865	A₁	0.958
1374	7.276	0.944	B₂	0.958
1368	7.308	5.86	B₂	0.958
1366	7.321	9.01	A₁	0.958
1363	7.335	0.139	A₁	0.958
1361	7.347	0.15	B₂	0.958
1361	7.349	1.67	A₁	0.958
1355	7.38	1.61	B₂	0.958
1346	7.43	11.6	A₁	0.958
1346	7.43	1.31	B₂	0.958
1338	7.475	0.0037	A₁	0.958
1327	7.537	0.0262	A₁	0.958
1325	7.546	0.899	B₂	0.958
1319	7.581	0.82	A₁	0.958
1313	7.619	0.668	A₁	0.958
1311	7.626	4.54	B₂	0.958
1294	7.729	2.83	B₂	0.958
1288	7.766	0.0158	A₁	0.958
1282	7.8	5.88	B₂	0.958
1281	7.808	0.127	A₁	0.958
1278	7.824	11.6	B₂	0.958
1271	7.87	3.36	A₁	0.958
1264	7.909	0.559	B₂	0.958
1258	7.951	1.74	A₁	0.958
1239	8.072	7.03	A₁	0.958
1228	8.146	3.5	A₁	0.958
1223	8.175	1.21	B₂	0.958
1220	8.198	0.019	B₂	0.958
1208	8.279	12.2	A₁	0.958
1202	8.316	9.51	B₂	0.958
1202	8.318	0.218	A₁	0.958
1193	8.382	7.12	A₁	0.958
1191	8.395	0.567	B₂	0.958
1181	8.464	0.505	B₂	0.958
1175	8.512	0.171	A₁	0.958
1158	8.632	0.775	A₁	0.958
1157	8.646	5.08	B₂	0.958
1150	8.696	3.62	B₂	0.958
1145	8.736	0.157	A₁	0.958
1139	8.777	0.737	A₁	0.958
1133	8.824	0.604	A₁	0.958
1132	8.837	4.84	B₂	0.958
1097	9.115	0.608	A₁	0.958
1078	9.274	6.03	B₂	0.958
1077	9.288	4.46	A₁	0.958
1054	9.49	0.0903	B₂	0.958
1036	9.648	1.36	A₁	0.958
1026	9.747	0.109	B₂	0.958
1011	9.891	0.194	A₁	0.958
1004	9.961	0.779	A₁	0.958
993	10.07	0.0327	B₂	0.958
980.5	10.2	0.0819	B₂	0.958
977.3	10.23	0	A₂	0.958
976.6	10.24	0.0096	B₁	0.958
976.3	10.24	0	A₂	0.958
975.7	10.25	0.0032	B₁	0.958
975.7	10.25	0.396	B₂	0.958
970.7	10.3	0	A₂	0.958
915.8	10.92	3.18	B₂	0.958
909.6	10.99	191	B₁	0.958
909	11	0	A₂	0.958
899.5	11.12	8.83	B₁	0.958
892.1	11.21	1.73	A₁	0.958
891.4	11.22	34.3	B₁	0.958
891.3	11.22	0	A₂	0.958
888	11.26	0	A₂	0.958
882.9	11.33	0.884	A₁	0.958
875.8	11.42	0.335	B₂	0.958
862.8	11.59	0.0994	B₁	0.958
862	11.6	0	A₂	0.958
850.8	11.75	6.87	B₂	0.958
848.3	11.79	0.0839	A₁	0.958
833.6	12	1.1	B₂	0.958
824.1	12.13	0.971	A₁	0.958
813.5	12.29	1.7	B₁	0.958
800.5	12.49	0	A₂	0.958
796.9	12.55	27.6	B₁	0.958
794.4	12.59	1.75	B₂	0.958
791.2	12.64	0	A₂	0.958
785.1	12.74	0	A₂	0.958
784.2	12.75	12.9	B₁	0.958
779	12.84	8.89	A₁	0.958
776.7	12.88	0.0995	A₁	0.958
776.3	12.88	0.399	B₁	0.958
775	12.9	0	A₂	0.958
769.2	13	0	B₁	0.958
764.8	13.08	0	A₂	0.958
763.3	13.1	0.106	B₂	0.958
753.8	13.27	1.77	B₂	0.958
749.6	13.34	5.58	B₁	0.958
747.9	13.37	0	A₂	0.958
742	13.48	0	A₂	0.958
731.9	13.66	0.0351	A₁	0.958
726.7	13.76	0	A₂	0.958
718.1	13.93	0	A₂	0.958
710.2	14.08	0.0403	B₁	0.958
707.4	14.14	4.05	B₁	0.958
705	14.18	0	B₂	0.958
693.1	14.43	0.0503	A₁	0.958
688.7	14.52	0.0653	B₁	0.958
687.8	14.54	0	A₂	0.958
681.7	14.67	0.107	B₂	0.958
679.1	14.73	0.925	B₁	0.958
670.1	14.92	0	A₂	0.958
657.7	15.21	0.93	B₂	0.958
643.8	15.53	0.152	A₁	0.958
642.3	15.57	0.304	A₁	0.958
637.5	15.69	4.63	B₂	0.958
632.6	15.81	1.33	A₁	0.958
628.9	15.9	4.95	B₂	0.958
619.6	16.14	0.032	B₁	0.958
619	16.15	0	A₂	0.958
610.6	16.38	0	A₂	0.958
610.5	16.38	0.682	A₁	0.958
604	16.56	0	A₂	0.958
604	16.56	13.5	B₁	0.958
597.3	16.74	0.0547	A₁	0.958
595.7	16.79	0	A₂	0.958
589.9	16.95	2.89	B₁	0.958
588.9	16.98	2.35	B₂	0.958
578.6	17.28	0.361	B₂	0.958
574.1	17.42	0.0066	A₁	0.958
570.8	17.52	0.0237	B₁	0.958
564	17.73	9.07	B₁	0.958
563.2	17.76	0	A₂	0.958
557	17.95	0	A₂	0.958
552.1	18.11	0.0077	B₁	0.958
552	18.12	3.58	B₂	0.958
530.1	18.86	13.6	B₂	0.958
529.8	18.87	0.354	A₁	0.958
521.3	19.18	0.0679	B₂	0.958
520	19.23	0.412	A₁	0.958
517.1	19.34	0.277	B₁	0.958
511	19.57	0	A₂	0.958
497.7	20.09	3.49	B₂	0.958
491.3	20.36	0.81	A₁	0.958
476	21.01	3.09	B₂	0.958
464.5	21.53	14.4	B₂	0.958
455.6	21.95	0	A₂	0.958
443	22.57	0	A₂	0.958
441.5	22.65	0.513	A₁	0.958
441.3	22.66	6.28	B₂	0.958
431.3	23.18	0.0049	B₁	0.958
421.6	23.72	0.53	A₁	0.958
410.3	24.37	0.117	B₁	0.958
408	24.51	2.17	B₂	0.958
406.1	24.62	0	A₂	0.958
397.9	25.13	0	A₂	0.958
397.4	25.16	2.64	B₁	0.958
390	25.64	0	A₂	0.958
367.8	27.19	1.25	B₂	0.958
365.5	27.36	0	A₂	0.958
365	27.4	0.662	B₁	0.958
352.9	28.34	0	A₂	0.958
351.2	28.47	0.0828	B₂	0.958
331.9	30.13	0.166	A₁	0.958
324	30.87	0.739	B₁	0.958
315.7	31.67	0	A₂	0.958
313.6	31.89	2.77	A₁	0.958
312.4	32.01	0.0073	B₁	0.958
290.2	34.45	0.0105	A₁	0.958
276.2	36.2	0	A₂	0.958
273.2	36.6	0.424	B₁	0.958
271.5	36.83	8.04	A₁	0.958
251.1	39.83	0.533	B₁	0.958
247.6	40.38	0	A₂	0.958
246.5	40.57	0.774	B₁	0.958
228.2	43.83	0.002	A₁	0.958
223.4	44.76	0.0488	B₂	0.958
220.5	45.36	1.4	B₁	0.958
213.1	46.92	4.25	B₂	0.958
182.4	54.84	0.42	B₁	0.958
177	56.49	0	A₂	0.958
174.5	57.31	0	A₂	0.958
173.8	57.55	1.5	B₁	0.958
124.9	80.04	0	A₂	0.958
120.3	83.11	0	A₂	0.958
111.4	89.8	0.163	B₁	0.958
98.88	101.1	0.062	B₁	0.958
76.29	131.1	0	A₂	0.958
61.93	161.5	0.0584	B₁	0.958
47.86	208.9	1.77	B₁	0.958
31.16	320.9	0.0092	B₁	0.958
29.84	335.2	0	A₂	0.958

Vibrations

Note(s):

C66H20 minus 2duo H end site

You are kindly asked to consider the following references for citation when using the database:

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, 282, 7, 2025 10.3847/1538-4365/ae1c38 — 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
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