NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3067	3.261	71.8	A₁	0.958
3066	3.261	189	A₁	0.958
3066	3.262	91.3	B₂	0.958
3065	3.263	59.1	B₂	0.958
3065	3.263	1.23	A₁	0.958
3065	3.263	73.6	B₂	0.958
3050	3.279	11.7	A₁	0.958
3050	3.279	37	B₂	0.958
3048	3.281	3.73	A₁	0.958
3047	3.282	24.7	B₂	0.958
3047	3.282	23.6	A₁	0.958
3046	3.283	3.46	A₁	0.958
3046	3.283	6.6	B₂	0.958
3045	3.284	14.5	A₁	0.958
3044	3.285	1.93	B₂	0.958
3044	3.286	8.33	B₂	0.958
3044	3.286	0.0776	A₁	0.958
3042	3.287	2.78	B₂	0.958
3042	3.287	0.707	A₁	0.958
1609	6.215	7.67	A₁	0.958
1602	6.243	20.4	B₂	0.958
1590	6.289	15.6	A₁	0.958
1590	6.291	0.0717	B₂	0.958
1588	6.296	2.8	A₁	0.958
1580	6.331	4.94	A₁	0.958
1579	6.333	6.71	B₂	0.958
1569	6.373	0.0163	A₁	0.958
1566	6.385	4.8	A₁	0.958
1565	6.389	0.811	B₂	0.958
1558	6.417	6.25	B₂	0.958
1549	6.456	0.0217	B₂	0.958
1545	6.475	0.0378	A₁	0.958
1533	6.522	0.423	A₁	0.958
1529	6.54	0.0573	B₂	0.958
1509	6.629	3.46	A₁	0.958
1494	6.693	13.8	B₂	0.958
1492	6.702	1.83	B₂	0.958
1486	6.73	0.903	B₂	0.958
1482	6.748	1.29	A₁	0.958
1476	6.774	1.58	A₁	0.958
1467	6.818	2.69	B₂	0.958
1463	6.836	0.251	A₁	0.958
1456	6.867	1.27	B₂	0.958
1451	6.89	1.73	A₁	0.958
1449	6.901	2.64	B₂	0.958
1447	6.909	0.516	A₁	0.958
1437	6.961	0.0168	A₁	0.958
1432	6.984	0.0588	B₂	0.958
1423	7.025	0.623	B₂	0.958
1423	7.028	0.97	A₁	0.958
1419	7.049	1.46	B₂	0.958
1417	7.056	0.986	A₁	0.958
1403	7.129	0.234	B₂	0.958
1400	7.145	1.54	A₁	0.958
1393	7.177	0.007	A₁	0.958
1393	7.18	0.467	B₂	0.958
1388	7.205	0.582	A₁	0.958
1387	7.209	0.977	B₂	0.958
1385	7.219	0.393	B₂	0.958
1382	7.234	2.26	B₂	0.958
1376	7.27	0.115	B₂	0.958
1372	7.288	7.9	A₁	0.958
1370	7.301	6.88	A₁	0.958
1364	7.329	0.475	B₂	0.958
1360	7.354	0.429	A₁	0.958
1354	7.384	0.443	B₂	0.958
1349	7.412	0.321	A₁	0.958
1340	7.464	0.0165	A₁	0.958
1337	7.481	2.66	B₂	0.958
1330	7.516	4.93	B₂	0.958
1327	7.534	0.959	A₁	0.958
1314	7.61	3.21	B₂	0.958
1312	7.622	5.33	A₁	0.958
1298	7.701	0.184	A₁	0.958
1292	7.739	9.93	B₂	0.958
1281	7.809	2.85	A₁	0.958
1280	7.813	11.3	B₂	0.958
1274	7.85	0.318	B₂	0.958
1272	7.862	4.82	A₁	0.958
1266	7.897	2.6	A₁	0.958
1254	7.973	0.0457	B₂	0.958
1248	8.013	6.81	A₁	0.958
1227	8.153	1.25	B₂	0.958
1221	8.193	2.63	A₁	0.958
1220	8.195	0.385	B₂	0.958
1209	8.274	8.23	A₁	0.958
1197	8.354	1.94	B₂	0.958
1193	8.384	2.4	A₁	0.958
1190	8.402	4.58	A₁	0.958
1188	8.417	1.33	B₂	0.958
1177	8.497	1.06	B₂	0.958
1176	8.506	0.0559	A₁	0.958
1158	8.634	3.15	B₂	0.958
1155	8.657	7.37	B₂	0.958
1155	8.661	0.644	A₁	0.958
1146	8.73	0.0883	B₂	0.958
1130	8.851	3.31	B₂	0.958
1125	8.885	0.271	A₁	0.958
1116	8.964	1.14	A₁	0.958
1097	9.12	1.14	B₂	0.958
1086	9.208	0.481	A₁	0.958
1072	9.33	0.302	B₂	0.958
1029	9.715	5.18	A₁	0.958
1025	9.758	0.818	A₁	0.958
1005	9.95	0.214	B₂	0.958
985.4	10.15	0.298	A₁	0.958
983	10.17	3.88	B₂	0.958
975.3	10.25	0.0045	B₁	0.958
973.9	10.27	0	A₂	0.958
973	10.28	0.0689	A₁	0.958
972	10.29	0.0176	B₁	0.958
971	10.3	0.0046	B₁	0.958
970	10.31	0	A₂	0.958
955.9	10.46	0	A₂	0.958
935.9	10.68	0.42	B₂	0.958
909.4	11	0.0575	B₂	0.958
901.5	11.09	196	B₁	0.958
897.3	11.15	0	A₂	0.958
895.8	11.16	0.185	A₁	0.958
894.4	11.18	25.9	B₁	0.958
888.4	11.26	0	A₂	0.958
884.1	11.31	1.25	B₁	0.958
857.4	11.66	0.768	A₁	0.958
857.2	11.67	10.3	B₁	0.958
849.5	11.77	0	A₂	0.958
848.8	11.78	1.47	B₂	0.958
841.5	11.88	1.82	A₁	0.958
831.8	12.02	0.837	B₂	0.958
819.8	12.2	24.7	B₁	0.958
814.4	12.28	0	A₂	0.958
805.2	12.42	0.9	B₂	0.958
800.7	12.49	0.395	B₁	0.958
795.3	12.57	0.128	A₁	0.958
791.9	12.63	0	A₂	0.958
784.3	12.75	11.1	B₁	0.958
782	12.79	15.5	B₁	0.958
777.6	12.86	0	A₂	0.958
776.9	12.87	0.43	A₁	0.958
776.4	12.88	0.586	B₁	0.958
772.5	12.95	0	A₂	0.958
768.1	13.02	0.605	B₂	0.958
767.8	13.02	0	B₁	0.958
764.7	13.08	0	A₂	0.958
750	13.33	0	A₂	0.958
749.9	13.33	0.0111	B₂	0.958
745.4	13.41	4.99	B₁	0.958
731.6	13.67	1.32	A₁	0.958
726.2	13.77	1.43	B₁	0.958
718.3	13.92	0.0592	B₂	0.958
710.1	14.08	0	A₂	0.958
709.6	14.09	6.83	B₁	0.958
707.9	14.13	0.104	A₁	0.958
698	14.33	0	A₂	0.958
693.4	14.42	0.0201	B₁	0.958
685.8	14.58	0.203	B₁	0.958
682.1	14.66	0.552	A₁	0.958
658.8	15.18	0	A₂	0.958
658.4	15.19	0.115	B₂	0.958
652.8	15.32	0.806	B₂	0.958
644.1	15.53	0.174	A₁	0.958
630.9	15.85	2.06	A₁	0.958
621.7	16.09	2.15	B₂	0.958
621.2	16.1	0.0043	A₁	0.958
614.3	16.28	0.0209	B₁	0.958
609.1	16.42	0.0162	B₁	0.958
609	16.42	0	A₂	0.958
603.1	16.58	9.51	B₁	0.958
598.9	16.7	0	A₂	0.958
595.8	16.78	0.0111	B₂	0.958
591.7	16.9	0.0754	A₁	0.958
578.1	17.3	2.69	B₁	0.958
575.9	17.37	0	A₂	0.958
565	17.7	6.04	B₁	0.958
561.8	17.8	0	A₂	0.958
561.1	17.82	0.291	B₂	0.958
558.9	17.89	9.14	B₁	0.958
557.2	17.95	0.203	B₂	0.958
551.6	18.13	0	A₂	0.958
546	18.31	0.117	A₁	0.958
529.7	18.88	0.0003	B₁	0.958
527.2	18.97	0.627	A₁	0.958
527	18.98	0.0148	B₂	0.958
518.3	19.29	0.506	B₂	0.958
490.3	20.4	1.27	B₂	0.958
486.3	20.56	0	A₂	0.958
484.3	20.65	2.56	A₁	0.958
480.3	20.82	0.159	A₁	0.958
467.4	21.4	0.168	B₂	0.958
455.5	21.95	0.0095	B₁	0.958
445.9	22.42	0	A₂	0.958
443.2	22.56	0.0342	A₁	0.958
416.3	24.02	0.0061	B₂	0.958
405.6	24.65	0.0973	B₁	0.958
400.9	24.95	0.386	A₁	0.958
394.1	25.37	0	A₂	0.958
392.6	25.47	1.46	B₁	0.958
386.6	25.87	0	A₂	0.958
377.2	26.51	0.592	B₁	0.958
371.5	26.92	0.0532	A₁	0.958
366.5	27.29	0.0218	B₁	0.958
358.3	27.91	0	A₂	0.958
343.1	29.15	0.87	B₂	0.958
326.9	30.59	0	A₂	0.958
326.7	30.61	0.0247	B₁	0.958
326.3	30.64	0.155	B₂	0.958
304.5	32.84	0.073	A₁	0.958
292.8	34.15	0	A₂	0.958
290.6	34.41	0.0019	B₁	0.958
272.3	36.73	5.6	A₁	0.958
260.4	38.4	0.277	B₁	0.958
248.4	40.26	0	A₂	0.958
244	40.98	0.186	B₂	0.958
231.5	43.19	0.0055	A₁	0.958
231.2	43.25	0	A₂	0.958
227.5	43.96	4.61	B₁	0.958
216.7	46.14	4.87	B₂	0.958
214.9	46.54	0.523	B₁	0.958
187.5	53.33	0	A₂	0.958
172.4	58.02	0.889	B₁	0.958
143.2	69.82	0.0109	B₁	0.958
132.5	75.46	0	A₂	0.958
119.7	83.51	0	A₂	0.958
115.1	86.9	0.0231	B₁	0.958
84.57	118.2	0.119	B₁	0.958
71.15	140.6	0	A₂	0.958
51.64	193.7	1.84	B₁	0.958
39.13	255.5	0	A₂	0.958
32.58	306.9	0.191	B₁	0.958

Vibrations

Note(s):

Neutral open-shell

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