NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3067	3.261	71.8	A₁	0.958
3066	3.261	189.2	A₁	0.958
3066	3.262	91.33	B₂	0.958
3065	3.263	59.14	B₂	0.958
3065	3.263	1.228	A₁	0.958
3065	3.263	73.64	B₂	0.958
3050	3.279	11.69	A₁	0.958
3050	3.279	36.96	B₂	0.958
3048	3.281	3.726	A₁	0.958
3047	3.282	24.7	B₂	0.958
3047	3.282	23.58	A₁	0.958
3046	3.283	3.463	A₁	0.958
3046	3.283	6.602	B₂	0.958
3045	3.284	14.55	A₁	0.958
3044	3.285	1.933	B₂	0.958
3044	3.286	8.325	B₂	0.958
3044	3.286	0.0776	A₁	0.958
3042	3.287	2.782	B₂	0.958
3042	3.287	0.707	A₁	0.958
1609	6.215	7.669	A₁	0.958
1602	6.243	20.42	B₂	0.958
1590	6.289	15.55	A₁	0.958
1590	6.291	0.0717	B₂	0.958
1588	6.296	2.8	A₁	0.958
1580	6.331	4.942	A₁	0.958
1579	6.333	6.71	B₂	0.958
1569	6.373	0.0163	A₁	0.958
1566	6.385	4.803	A₁	0.958
1565	6.389	0.8109	B₂	0.958
1558	6.417	6.252	B₂	0.958
1549	6.456	0.0217	B₂	0.958
1545	6.475	0.0378	A₁	0.958
1533	6.522	0.4228	A₁	0.958
1529	6.54	0.0573	B₂	0.958
1509	6.629	3.459	A₁	0.958
1494	6.693	13.8	B₂	0.958
1492	6.702	1.827	B₂	0.958
1486	6.73	0.9035	B₂	0.958
1482	6.748	1.288	A₁	0.958
1476	6.774	1.579	A₁	0.958
1467	6.818	2.695	B₂	0.958
1463	6.836	0.2514	A₁	0.958
1456	6.867	1.267	B₂	0.958
1451	6.89	1.732	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	0.6234	B₂	0.958
1423	7.028	0.9696	A₁	0.958
1419	7.049	1.461	B₂	0.958
1417	7.056	0.9859	A₁	0.958
1403	7.129	0.2335	B₂	0.958
1400	7.145	1.536	A₁	0.958
1393	7.177	0.007	A₁	0.958
1393	7.18	0.4666	B₂	0.958
1388	7.205	0.5822	A₁	0.958
1387	7.209	0.9766	B₂	0.958
1385	7.219	0.393	B₂	0.958
1382	7.234	2.26	B₂	0.958
1376	7.27	0.1145	B₂	0.958
1372	7.288	7.899	A₁	0.958
1370	7.301	6.885	A₁	0.958
1364	7.329	0.4755	B₂	0.958
1360	7.354	0.4287	A₁	0.958
1354	7.384	0.4432	B₂	0.958
1349	7.412	0.3211	A₁	0.958
1340	7.464	0.0165	A₁	0.958
1337	7.481	2.662	B₂	0.958
1330	7.516	4.93	B₂	0.958
1327	7.534	0.9592	A₁	0.958
1314	7.61	3.212	B₂	0.958
1312	7.622	5.327	A₁	0.958
1298	7.701	0.1837	A₁	0.958
1292	7.739	9.934	B₂	0.958
1281	7.809	2.848	A₁	0.958
1280	7.813	11.33	B₂	0.958
1274	7.85	0.3177	B₂	0.958
1272	7.862	4.818	A₁	0.958
1266	7.897	2.603	A₁	0.958
1254	7.973	0.0457	B₂	0.958
1248	8.013	6.806	A₁	0.958
1227	8.153	1.251	B₂	0.958
1221	8.193	2.626	A₁	0.958
1220	8.195	0.3847	B₂	0.958
1209	8.274	8.229	A₁	0.958
1197	8.354	1.939	B₂	0.958
1193	8.384	2.398	A₁	0.958
1190	8.402	4.577	A₁	0.958
1188	8.417	1.327	B₂	0.958
1177	8.497	1.06	B₂	0.958
1176	8.506	0.0559	A₁	0.958
1158	8.634	3.149	B₂	0.958
1155	8.657	7.375	B₂	0.958
1155	8.661	0.6443	A₁	0.958
1146	8.73	0.0883	B₂	0.958
1130	8.851	3.307	B₂	0.958
1125	8.885	0.2706	A₁	0.958
1116	8.964	1.142	A₁	0.958
1097	9.12	1.136	B₂	0.958
1086	9.208	0.4813	A₁	0.958
1072	9.33	0.3016	B₂	0.958
1029	9.715	5.176	A₁	0.958
1025	9.758	0.8184	A₁	0.958
1005	9.95	0.214	B₂	0.958
985.4	10.15	0.2983	A₁	0.958
983	10.17	3.881	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	0.4202	B₂	0.958
909.4	11	0.0575	B₂	0.958
901.5	11.09	195.7	B₁	0.958
897.3	11.15	0	A₂	0.958
895.8	11.16	0.1849	A₁	0.958
894.4	11.18	25.87	B₁	0.958
888.4	11.26	0	A₂	0.958
884.1	11.31	1.251	B₁	0.958
857.4	11.66	0.7679	A₁	0.958
857.2	11.67	10.28	B₁	0.958
849.5	11.77	0	A₂	0.958
848.8	11.78	1.467	B₂	0.958
841.5	11.88	1.823	A₁	0.958
831.8	12.02	0.8367	B₂	0.958
819.8	12.2	24.72	B₁	0.958
814.4	12.28	0	A₂	0.958
805.2	12.42	0.8996	B₂	0.958
800.7	12.49	0.3948	B₁	0.958
795.3	12.57	0.1276	A₁	0.958
791.9	12.63	0	A₂	0.958
784.3	12.75	11.13	B₁	0.958
782	12.79	15.47	B₁	0.958
777.6	12.86	0	A₂	0.958
776.9	12.87	0.4305	A₁	0.958
776.4	12.88	0.5855	B₁	0.958
772.5	12.95	0	A₂	0.958
768.1	13.02	0.6051	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	4.995	B₁	0.958
731.6	13.67	1.318	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	6.825	B₁	0.958
707.9	14.13	0.1042	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	0.5524	A₁	0.958
658.8	15.18	0	A₂	0.958
658.4	15.19	0.1147	B₂	0.958
652.8	15.32	0.8062	B₂	0.958
644.1	15.53	0.1744	A₁	0.958
630.9	15.85	2.063	A₁	0.958
621.7	16.09	2.149	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	9.507	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	2.689	B₁	0.958
575.9	17.37	0	A₂	0.958
565	17.7	6.039	B₁	0.958
561.8	17.8	0	A₂	0.958
561.1	17.82	0.2911	B₂	0.958
558.9	17.89	9.139	B₁	0.958
557.2	17.95	0.2033	B₂	0.958
551.6	18.13	0	A₂	0.958
546	18.31	0.1172	A₁	0.958
529.7	18.88	0.0003	B₁	0.958
527.2	18.97	0.6268	A₁	0.958
527	18.98	0.0148	B₂	0.958
518.3	19.29	0.5056	B₂	0.958
490.3	20.4	1.269	B₂	0.958
486.3	20.56	0	A₂	0.958
484.3	20.65	2.556	A₁	0.958
480.3	20.82	0.1586	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	0.3859	A₁	0.958
394.1	25.37	0	A₂	0.958
392.6	25.47	1.455	B₁	0.958
386.6	25.87	0	A₂	0.958
377.2	26.51	0.5923	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	0.8697	B₂	0.958
326.9	30.59	0	A₂	0.958
326.7	30.61	0.0247	B₁	0.958
326.3	30.64	0.1552	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	5.601	A₁	0.958
260.4	38.4	0.2766	B₁	0.958
248.4	40.26	0	A₂	0.958
244	40.98	0.1862	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	4.872	B₂	0.958
214.9	46.54	0.5231	B₁	0.958
187.5	53.33	0	A₂	0.958
172.4	58.02	0.8891	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	0.1194	B₁	0.958
71.15	140.6	0	A₂	0.958
51.64	193.7	1.843	B₁	0.958
39.13	255.5	0	A₂	0.958
32.58	306.9	0.1906	B₁	0.958

Note(s):

Neutral open-shell

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