NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3050	3.279	112.4	A₁	0.958
3049	3.279	204.3	B₂	0.958
3048	3.281	114.6	A₁	0.958
3048	3.281	309.2	B₂	0.958
3046	3.283	136.2	A₁	0.958
3045	3.284	11.65	B₂	0.958
3035	3.295	68.22	A₁	0.958
3032	3.298	49.84	A₁	0.958
3030	3.3	0.7496	B₂	0.958
3030	3.3	18.9	B₂	0.958
3030	3.301	30.77	A₁	0.958
3028	3.303	3.685	A₁	0.958
3028	3.303	4.417	B₂	0.958
3025	3.306	1.918	A₁	0.958
3025	3.306	3.264	B₂	0.958
3023	3.308	15.7	A₁	0.958
3023	3.308	83.83	B₂	0.958
3020	3.311	0.0113	A₁	0.958
3020	3.311	6.679	B₂	0.958
1610	6.213	0.4117	A₁	0.958
1605	6.232	19.48	B₂	0.958
1601	6.248	18.5	B₂	0.958
1600	6.249	0.5877	A₁	0.958
1585	6.311	39.89	B₂	0.958
1584	6.314	0.1435	A₁	0.958
1579	6.334	571	B₂	0.958
1576	6.346	0.0872	A₁	0.958
1568	6.376	348.2	B₂	0.958
1566	6.386	83.32	A₁	0.958
1558	6.42	9.075	A₁	0.958
1547	6.463	1.213	A₁	0.958
1540	6.495	200.3	B₂	0.958
1533	6.525	0.0088	B₂	0.958
1520	6.577	10.32	A₁	0.958
1499	6.672	28.75	A₁	0.958
1492	6.704	2.459	A₁	0.958
1492	6.704	29.28	B₂	0.958
1483	6.741	1.415	B₂	0.958
1474	6.783	48.56	B₂	0.958
1466	6.82	18.2	B₂	0.958
1465	6.825	27.75	A₁	0.958
1455	6.875	7.786	A₁	0.958
1451	6.892	0.2082	B₂	0.958
1447	6.911	1.378	A₁	0.958
1437	6.959	8.06	B₂	0.958
1436	6.962	3.662	A₁	0.958
1428	7.004	8.854	B₂	0.958
1421	7.038	6.823	B₂	0.958
1418	7.054	3.927	A₁	0.958
1412	7.084	0.1871	A₁	0.958
1412	7.085	136.8	B₂	0.958
1402	7.135	2.605	B₂	0.958
1400	7.145	23.84	A₁	0.958
1394	7.176	3.068	A₁	0.958
1384	7.226	1.18	A₁	0.958
1384	7.227	0.0003	B₂	0.958
1380	7.244	0.0722	B₂	0.958
1376	7.27	1.03	A₁	0.958
1373	7.284	9.997	B₂	0.958
1370	7.302	22.34	B₂	0.958
1366	7.323	0.1073	A₁	0.958
1360	7.353	0.0051	A₁	0.958
1358	7.363	2.434	B₂	0.958
1353	7.393	0.0026	B₂	0.958
1351	7.402	3.88	A₁	0.958
1345	7.438	0.9896	A₁	0.958
1335	7.492	79.31	B₂	0.958
1329	7.526	8.814	B₂	0.958
1327	7.539	16.42	A₁	0.958
1325	7.545	92.64	B₂	0.958
1314	7.61	73.38	A₁	0.958
1303	7.676	457.4	B₂	0.958
1301	7.689	146.6	A₁	0.958
1284	7.787	59.25	B₂	0.958
1279	7.818	0.1826	A₁	0.958
1274	7.852	25.88	B₂	0.958
1271	7.866	23.81	A₁	0.958
1255	7.969	15.14	A₁	0.958
1243	8.043	21.2	B₂	0.958
1233	8.113	1.473	B₂	0.958
1224	8.173	89.61	A₁	0.958
1221	8.189	1.723	B₂	0.958
1219	8.202	20.8	A₁	0.958
1207	8.285	2.803	B₂	0.958
1204	8.308	18.12	A₁	0.958
1189	8.412	0.8174	A₁	0.958
1188	8.417	151.6	B₂	0.958
1184	8.446	42.77	A₁	0.958
1179	8.482	0.0186	B₂	0.958
1167	8.566	167.2	B₂	0.958
1160	8.621	0.3512	B₂	0.958
1160	8.623	10.17	A₁	0.958
1148	8.707	6.828	B₂	0.958
1144	8.745	8.024	A₁	0.958
1128	8.867	5.642	B₂	0.958
1126	8.883	2.831	A₁	0.958
1100	9.093	1.531	A₁	0.958
1082	9.246	0.3516	A₁	0.958
1068	9.367	20.15	B₂	0.958
1057	9.462	0.19	B₂	0.958
1032	9.691	0.1043	A₁	0.958
1018	9.825	0.6049	B₂	0.958
1014	9.859	0.0346	A₁	0.958
1003	9.973	9.915	B₂	0.958
962.2	10.39	0.0001	B₁	0.958
961.5	10.4	0	A₂	0.958
954.2	10.48	0.0809	B₁	0.958
954.1	10.48	0	A₂	0.958
934.2	10.7	0.1671	B₁	0.958
934.1	10.71	0	A₂	0.958
920.7	10.86	0.0154	A₁	0.958
916.7	10.91	0.1457	B₂	0.958
906.7	11.03	0.6045	A₁	0.958
897.6	11.14	7.787	B₂	0.958
893	11.2	76.32	B₁	0.958
885.4	11.29	0.0786	A₁	0.958
871.7	11.47	0	A₂	0.958
871.2	11.48	170.1	B₁	0.958
866	11.55	0.0005	B₁	0.958
863.1	11.59	1.317	A₁	0.958
850.2	11.76	0	A₂	0.958
846.4	11.81	0	A₂	0.958
842.9	11.86	1.195	A₁	0.958
835.6	11.97	1.766	B₂	0.958
823.5	12.14	0.1966	B₂	0.958
819.7	12.2	21.54	B₁	0.958
808.7	12.37	0	A₂	0.958
798.3	12.53	1.766	B₁	0.958
797.3	12.54	0.0262	A₁	0.958
789.8	12.66	11.4	B₁	0.958
786.9	12.71	0	A₂	0.958
775.2	12.9	0	A₂	0.958
774	12.92	12.44	B₁	0.958
773.6	12.93	3.233	B₂	0.958
770.3	12.98	0.29	B₁	0.958
767.6	13.03	0	A₂	0.958
762.4	13.12	0.1064	B₁	0.958
760.8	13.14	0	A₂	0.958
753.4	13.27	0.0229	B₁	0.958
753.4	13.27	1.242	B₂	0.958
741.4	13.49	4.188	B₁	0.958
738	13.55	0	A₂	0.958
736.4	13.58	0.0652	A₁	0.958
721.6	13.86	1.505	B₂	0.958
715.4	13.98	0.6141	B₁	0.958
711.3	14.06	0	A₂	0.958
704.8	14.19	0.0307	B₁	0.958
697.2	14.34	0.1218	A₁	0.958
691.5	14.46	0	A₂	0.958
691.1	14.47	1.212	A₁	0.958
682.2	14.66	1.387	B₁	0.958
675.7	14.8	5.779	B₂	0.958
671.5	14.89	1.084	B₂	0.958
670.4	14.92	0.954	A₁	0.958
664.5	15.05	0	A₂	0.958
641.1	15.6	1.328	A₁	0.958
627.1	15.95	4.1	B₂	0.958
621.7	16.09	13.75	B₁	0.958
619.6	16.14	1.03	A₁	0.958
615.9	16.24	0.7849	B₂	0.958
615.6	16.24	0.8046	B₁	0.958
613.3	16.31	0	A₂	0.958
598.9	16.7	0	A₂	0.958
597.6	16.73	9.696	B₁	0.958
585	17.09	0	A₂	0.958
584.1	17.12	0.1894	A₁	0.958
583.3	17.14	4.877	B₂	0.958
577.1	17.33	0.0716	B₁	0.958
568.1	17.6	0.6166	B₁	0.958
555	18.02	0	A₂	0.958
554.4	18.04	0.1071	B₂	0.958
553.2	18.08	0.014	B₁	0.958
543.5	18.4	1.86	A₁	0.958
542.1	18.45	0	A₂	0.958
541.9	18.45	0.4615	B₂	0.958
527.8	18.95	0.6669	A₁	0.958
526.8	18.98	0.9655	B₂	0.958
520.4	19.22	0.0541	B₁	0.958
503.1	19.88	0.0205	A₁	0.958
490.6	20.38	7.321	B₂	0.958
489.4	20.43	0	A₂	0.958
489.3	20.44	2.296	A₁	0.958
466.4	21.44	0.1716	B₁	0.958
453.5	22.05	2.433	B₂	0.958
442.4	22.6	0	A₂	0.958
439.3	22.76	1.867	B₂	0.958
425.8	23.48	0.3071	A₁	0.958
398.6	25.09	1.739	B₁	0.958
397.8	25.14	0	A₂	0.958
393.7	25.4	0	A₂	0.958
379.8	26.33	0.2555	B₁	0.958
379.4	26.36	4.068	B₂	0.958
373.3	26.79	0.3737	A₁	0.958
365.5	27.36	1.984	B₁	0.958
354.7	28.19	0.5216	A₁	0.958
345.8	28.92	0	A₂	0.958
335.2	29.84	0.9144	B₁	0.958
332.8	30.04	0.7888	B₂	0.958
318.1	31.44	0	A₂	0.958
317.6	31.49	0.0028	A₁	0.958
315.4	31.71	1.31	B₁	0.958
306.7	32.6	16.48	B₂	0.958
289.7	34.52	0	A₂	0.958
286	34.97	0.1662	B₁	0.958
259.4	38.55	0	A₂	0.958
248.8	40.19	0.1572	B₁	0.958
235.5	42.46	9.456	B₂	0.958
234.8	42.58	0.0028	A₁	0.958
214.3	46.67	0.645	B₁	0.958
204	49.01	0	A₂	0.958
185.9	53.79	6.73	A₁	0.958
178.4	56.05	0	A₂	0.958
176	56.81	1.363	B₁	0.958
169.8	58.91	0.5092	B₁	0.958
148.9	67.15	0	A₂	0.958
120	83.33	0.022	B₁	0.958
102.1	97.95	0	A₂	0.958
81.21	123.1	0.0133	B₁	0.958
71.44	140	0	A₂	0.958
64.75	154.4	0.6379	B₁	0.958
32.36	309	0	A₂	0.958
31.35	318.9	0.114	B₁	0.958

Vibrations

Note(s):

C57H19-

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