NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3083	3.243	22	A₁	0.958
3083	3.243	14.3	B₂	0.958
3080	3.247	7.98	A₁	0.958
3080	3.247	40.3	B₂	0.958
3079	3.248	71.8	A₁	0.958
3079	3.248	50.8	B₂	0.958
3078	3.249	10.9	A₁	0.958
3062	3.266	0.0049	A₁	0.958
3062	3.266	6.8	B₂	0.958
3062	3.266	0.147	B₂	0.958
3061	3.267	3.83	A₁	0.958
3061	3.267	10.8	B₂	0.958
3059	3.269	3.48	A₁	0.958
3059	3.269	17.6	B₂	0.958
3058	3.27	13.6	A₁	0.958
3058	3.271	1.19	B₂	0.958
3057	3.272	1.69	A₁	0.958
3057	3.272	0.0053	B₂	0.958
2032	4.922	4.3	A₁	0.958
1604	6.236	23.1	A₁	0.958
1593	6.277	20.5	A₁	0.958
1592	6.283	4.44	B₂	0.958
1586	6.304	0.144	B₂	0.958
1583	6.318	75.6	A₁	0.958
1581	6.323	9.73	B₂	0.958
1579	6.333	394	B₂	0.958
1576	6.344	17.5	A₁	0.958
1568	6.377	126	B₂	0.958
1566	6.385	3.88	A₁	0.958
1563	6.398	14.1	B₂	0.958
1549	6.454	0.225	A₁	0.958
1545	6.473	0.327	B₂	0.958
1534	6.52	12.7	B₂	0.958
1533	6.525	0.142	A₁	0.958
1520	6.579	1.17	A₁	0.958
1509	6.627	88.1	B₂	0.958
1502	6.659	18	A₁	0.958
1485	6.732	0.0013	A₁	0.958
1482	6.749	56.8	B₂	0.958
1480	6.759	93.9	B₂	0.958
1479	6.759	8.06	A₁	0.958
1472	6.792	0.0001	B₂	0.958
1469	6.807	3.3	A₁	0.958
1466	6.82	5.05	B₂	0.958
1457	6.862	7.81	B₂	0.958
1450	6.895	6.43	A₁	0.958
1443	6.929	0.135	A₁	0.958
1438	6.955	34.3	B₂	0.958
1434	6.975	0.0695	B₂	0.958
1434	6.975	9.25	A₁	0.958
1426	7.011	0.3	B₂	0.958
1424	7.023	0.0912	A₁	0.958
1421	7.036	2.1	B₂	0.958
1413	7.076	15.1	A₁	0.958
1407	7.108	1.49	A₁	0.958
1404	7.121	2	B₂	0.958
1396	7.162	0.13	B₂	0.958
1394	7.175	0.617	A₁	0.958
1391	7.19	1.09	B₂	0.958
1387	7.211	0.941	A₁	0.958
1384	7.228	5.07	A₁	0.958
1378	7.256	1.37	A₁	0.958
1376	7.265	25.5	B₂	0.958
1376	7.27	10.4	B₂	0.958
1370	7.298	0.846	A₁	0.958
1369	7.305	3.4	B₂	0.958
1365	7.326	38.4	A₁	0.958
1361	7.35	1.26	A₁	0.958
1360	7.351	3.55	B₂	0.958
1349	7.413	112	B₂	0.958
1342	7.45	7.75	A₁	0.958
1341	7.456	6.81	A₁	0.958
1338	7.473	138	B₂	0.958
1334	7.498	79.4	A₁	0.958
1325	7.545	3.5	B₂	0.958
1319	7.583	12.8	A₁	0.958
1316	7.597	0.0053	A₁	0.958
1312	7.624	5.73	B₂	0.958
1297	7.708	261	A₁	0.958
1286	7.779	0.0912	A₁	0.958
1285	7.784	21.6	B₂	0.958
1280	7.812	5.65	B₂	0.958
1277	7.831	6.88	B₂	0.958
1274	7.851	144	A₁	0.958
1265	7.906	7.43	A₁	0.958
1261	7.931	27.5	B₂	0.958
1240	8.064	16.2	A₁	0.958
1223	8.175	1.26	B₂	0.958
1223	8.176	155	A₁	0.958
1219	8.202	26.4	B₂	0.958
1210	8.261	27.9	A₁	0.958
1205	8.3	0.81	A₁	0.958
1198	8.344	66.6	B₂	0.958
1195	8.365	91.7	A₁	0.958
1189	8.413	0.0891	B₂	0.958
1180	8.473	12	A₁	0.958
1178	8.49	4.74	B₂	0.958
1173	8.522	10.9	A₁	0.958
1159	8.626	0.64	B₂	0.958
1151	8.686	1.29	B₂	0.958
1149	8.706	1.21	A₁	0.958
1142	8.753	3.14	A₁	0.958
1135	8.81	1.66	B₂	0.958
1135	8.81	12.2	A₁	0.958
1101	9.084	2.17	A₁	0.958
1083	9.233	5.36	B₂	0.958
1082	9.244	8.61	A₁	0.958
1054	9.49	0.032	B₂	0.958
1039	9.627	0.953	A₁	0.958
1025	9.756	0.153	B₂	0.958
1013	9.868	0.142	A₁	0.958
1004	9.961	0.0293	A₁	0.958
994.3	10.06	1.21	B₂	0.958
988.5	10.12	0	A₂	0.958
986.2	10.14	0.0592	B₁	0.958
986.1	10.14	0	A₂	0.958
985.2	10.15	0.0357	B₁	0.958
983.4	10.17	0	A₂	0.958
982.5	10.18	3.66	B₂	0.958
979.2	10.21	5.13	B₂	0.958
924	10.82	176	B₁	0.958
923.4	10.83	0	A₂	0.958
915.6	10.92	0.228	B₂	0.958
913.4	10.95	11	B₁	0.958
905	11.05	38.1	B₁	0.958
904.8	11.05	0	A₂	0.958
901.2	11.1	0	A₂	0.958
891.2	11.22	1.51	A₁	0.958
881.7	11.34	16.6	A₁	0.958
877	11.4	0.0365	B₂	0.958
875.7	11.42	0.0783	B₁	0.958
874.8	11.43	0	A₂	0.958
851.6	11.74	1.21	B₂	0.958
848.2	11.79	0.134	A₁	0.958
833.8	11.99	0.812	B₂	0.958
823.6	12.14	7.34	A₁	0.958
820.8	12.18	4.06	B₁	0.958
809.6	12.35	0	A₂	0.958
806.4	12.4	27.7	B₁	0.958
801.9	12.47	0	A₂	0.958
793.4	12.6	0.41	B₂	0.958
792.3	12.62	20.4	B₁	0.958
781.2	12.8	0	A₂	0.958
779.4	12.83	0.656	A₁	0.958
778.6	12.84	5.61	A₁	0.958
773.5	12.93	0.212	B₁	0.958
772.3	12.95	0	A₂	0.958
769.2	13	0.0044	B₁	0.958
763.7	13.09	0	A₂	0.958
763.7	13.09	0.218	B₂	0.958
752.9	13.28	1.28	B₂	0.958
746.9	13.39	5.97	B₁	0.958
746.3	13.4	0	A₂	0.958
739.6	13.52	0	A₂	0.958
732.2	13.66	0.851	A₁	0.958
724.4	13.81	0	A₂	0.958
719.1	13.91	0	A₂	0.958
709.5	14.09	0.12	B₁	0.958
706.7	14.15	5.17	B₁	0.958
703.9	14.21	0.005	B₂	0.958
692.6	14.44	0.0426	A₁	0.958
690	14.49	0.127	B₁	0.958
688.6	14.52	0	A₂	0.958
681.6	14.67	0.0538	B₂	0.958
676.7	14.78	1.11	B₁	0.958
671.8	14.89	0	A₂	0.958
658.6	15.18	0.7	B₂	0.958
643.6	15.54	0.28	A₁	0.958
641.5	15.59	0.758	A₁	0.958
638.9	15.65	1.86	B₂	0.958
633	15.8	1.19	A₁	0.958
628.2	15.92	2.1	B₂	0.958
620.7	16.11	0	A₂	0.958
620.5	16.12	0.248	B₁	0.958
609.5	16.41	0.295	A₁	0.958
606.3	16.49	0	A₂	0.958
605	16.53	16.7	B₁	0.958
603	16.58	0	A₂	0.958
597.7	16.73	0.901	A₁	0.958
596	16.78	0	A₂	0.958
591	16.92	0.83	B₁	0.958
588.5	16.99	1.48	B₂	0.958
579	17.27	0.008	B₂	0.958
574.2	17.41	0.0148	A₁	0.958
571.7	17.49	0.0514	B₁	0.958
563.4	17.75	0	A₂	0.958
559.6	17.87	12.2	B₁	0.958
556.8	17.96	0	A₂	0.958
553.3	18.07	2.63	B₂	0.958
551.1	18.15	0.0351	B₁	0.958
531.6	18.81	7.7	B₂	0.958
529.5	18.88	0.402	A₁	0.958
521.8	19.16	0.0001	B₂	0.958
520.5	19.21	0.526	A₁	0.958
515.1	19.41	0	A₂	0.958
509.5	19.63	0.0089	B₁	0.958
498.6	20.05	3.17	B₂	0.958
490.6	20.38	2.55	A₁	0.958
476	21.01	0.528	B₂	0.958
465.5	21.48	4.35	B₂	0.958
452.9	22.08	0	A₂	0.958
445.2	22.46	0	A₂	0.958
441.9	22.63	1.35	B₂	0.958
441	22.68	0.896	A₁	0.958
429.4	23.29	0.0002	B₁	0.958
420.7	23.77	0.786	A₁	0.958
414.2	24.14	0.18	B₁	0.958
408.4	24.49	0.71	B₂	0.958
401.5	24.91	0	A₂	0.958
399.1	25.05	0	A₂	0.958
396.9	25.2	3.21	B₁	0.958
390.2	25.63	0	A₂	0.958
366.9	27.26	0.744	B₂	0.958
363.9	27.48	0	A₂	0.958
363.9	27.48	0.793	B₁	0.958
351	28.49	0.0983	B₂	0.958
350.3	28.54	0	A₂	0.958
332	30.12	0.126	A₁	0.958
321.9	31.06	0.46	B₁	0.958
313.5	31.9	0.0113	B₁	0.958
312.6	31.99	0.835	A₁	0.958
312.2	32.03	0	A₂	0.958
290.6	34.41	0.013	A₁	0.958
274.3	36.46	0	A₂	0.958
273.8	36.52	0.577	B₁	0.958
271.7	36.81	11.8	A₁	0.958
250.8	39.86	0.833	B₁	0.958
247.9	40.34	0	A₂	0.958
245.7	40.7	1.88	B₁	0.958
228.1	43.85	0.0061	A₁	0.958
222	45.05	0.031	B₂	0.958
217.9	45.9	1.37	B₁	0.958
212.2	47.13	1.49	B₂	0.958
181.1	55.23	0.604	B₁	0.958
177.8	56.24	0	A₂	0.958
173.3	57.7	0	A₂	0.958
172.6	57.94	1.67	B₁	0.958
124.6	80.27	0	A₂	0.958
118.7	84.22	0	A₂	0.958
111.4	89.79	0.0244	B₁	0.958
97.93	102.1	0.0889	B₁	0.958
76.48	130.8	0	A₂	0.958
62.23	160.7	0.0612	B₁	0.958
46.87	213.4	3.86	B₁	0.958
31.24	320.1	0.044	B₁	0.958
30.48	328	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