NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3125	3.2	23.94	A₁	0.958
3116	3.209	9.955	B₂	0.958
3113	3.213	27.16	A₁	0.958
3110	3.215	10.77	B₂	0.958
3106	3.219	4.97	A₁	0.958
3098	3.228	8.713	B₂	0.958
3096	3.23	1.375	A₁	0.958
3091	3.235	0.0595	B₂	0.958
3089	3.238	5.06	A₁	0.958
3088	3.238	36.6	B₂	0.958
3084	3.243	17.96	A₁	0.958
3083	3.243	36.25	B₂	0.958
3083	3.244	4.148	A₁	0.958
3072	3.255	0.2456	B₂	0.958
3072	3.256	0.0626	A₁	0.958
3071	3.256	2.011	B₂	0.958
3066	3.262	0.7926	A₁	0.958
3066	3.262	0.0102	B₂	0.958
1595	6.268	16.92	A₁	0.958
1595	6.27	13.45	B₂	0.958
1584	6.312	1.012	B₂	0.958
1583	6.316	3.5	A₁	0.958
1569	6.374	0.9451	A₁	0.958
1563	6.399	1143	B₂	0.958
1560	6.412	0.7882	A₁	0.958
1555	6.431	140.8	B₂	0.958
1554	6.435	5.982	A₁	0.958
1526	6.554	53.18	B₂	0.958
1513	6.611	42.07	A₁	0.958
1511	6.619	68.96	B₂	0.958
1499	6.672	291	B₂	0.958
1492	6.704	5.454	A₁	0.958
1485	6.735	11.12	A₁	0.958
1480	6.756	9.414	B₂	0.958
1474	6.785	26.01	A₁	0.958
1465	6.825	8.448	B₂	0.958
1451	6.89	6.817	A₁	0.958
1445	6.919	88.91	B₂	0.958
1433	6.978	0.2969	B₂	0.958
1429	6.997	112.3	B₂	0.958
1422	7.033	3.802	A₁	0.958
1416	7.063	7.256	A₁	0.958
1396	7.163	2.287	A₁	0.958
1395	7.171	44.59	B₂	0.958
1382	7.236	2.124	B₂	0.958
1367	7.313	166.9	B₂	0.958
1366	7.321	30.87	A₁	0.958
1354	7.385	13.99	B₂	0.958
1352	7.399	19.55	A₁	0.958
1346	7.429	58.82	A₁	0.958
1334	7.498	118.6	A₁	0.958
1327	7.535	50.91	B₂	0.958
1319	7.58	2.366	B₂	0.958
1317	7.595	3.212	A₁	0.958
1309	7.638	2.115	A₁	0.958
1294	7.729	11.7	A₁	0.958
1289	7.757	33.02	B₂	0.958
1277	7.833	1.816	A₁	0.958
1275	7.845	443.5	B₂	0.958
1265	7.902	23.95	A₁	0.958
1240	8.066	9.029	B₂	0.958
1240	8.067	0.2592	A₁	0.958
1221	8.192	75.49	A₁	0.958
1218	8.208	18.26	A₁	0.958
1218	8.209	185.5	B₂	0.958
1205	8.301	0.0167	B₂	0.958
1197	8.358	124.6	B₂	0.958
1194	8.377	0.8425	A₁	0.958
1185	8.438	18.48	A₁	0.958
1167	8.566	3.722	B₂	0.958
1162	8.602	6.945	A₁	0.958
1156	8.653	111.5	B₂	0.958
1118	8.946	10.37	B₂	0.958
1107	9.037	7.301	A₁	0.958
1093	9.145	0.162	A₁	0.958
1093	9.147	3.495	B₂	0.958
1067	9.369	1.129	B₂	0.958
1058	9.451	0.1785	A₁	0.958
1043	9.589	0.0504	A₁	0.958
1035	9.66	1.786	A₁	0.958
1000	10	0	A₂	0.958
997.6	10.02	0	A₂	0.958
996.9	10.03	0.0728	B₁	0.958
994.9	10.05	2.878	B₂	0.958
984.3	10.16	0	A₂	0.958
983.5	10.17	0.5256	B₁	0.958
966.1	10.35	0	A₂	0.958
962.2	10.39	4.725	B₂	0.958
951.6	10.51	2.977	B₁	0.958
935.5	10.69	3.864	B₂	0.958
919.8	10.87	15.03	B₁	0.958
919.4	10.88	0	A₂	0.958
913.5	10.95	15.78	A₁	0.958
899.2	11.12	0	A₂	0.958
893.3	11.19	62.89	B₁	0.958
878.6	11.38	10.56	B₂	0.958
866.5	11.54	0	A₂	0.958
844.6	11.84	2.176	A₁	0.958
833	12	0	A₂	0.958
832.4	12.01	21.18	B₁	0.958
819.4	12.2	68.6	B₁	0.958
815.6	12.26	4.467	A₁	0.958
800.1	12.5	0	A₂	0.958
793.6	12.6	0.027	B₂	0.958
789	12.67	15.2	B₁	0.958
770	12.99	0	A₂	0.958
769.7	12.99	9.21	B₂	0.958
765.1	13.07	20.51	B₁	0.958
757.9	13.19	0	A₂	0.958
757.1	13.21	57.95	B₁	0.958
751.2	13.31	5.679	A₁	0.958
748.6	13.36	0	A₂	0.958
725.8	13.78	0	A₂	0.958
719.3	13.9	9.776	A₁	0.958
711.4	14.06	0.0558	B₂	0.958
708.1	14.12	6.518	B₁	0.958
674.9	14.82	3.179	B₁	0.958
673.1	14.86	0	A₂	0.958
663.2	15.08	0.0824	B₂	0.958
652	15.34	0.4679	B₂	0.958
647.8	15.44	1.233	A₁	0.958
636.9	15.7	16.61	B₁	0.958
629	15.9	0.608	A₁	0.958
626.2	15.97	0	A₂	0.958
603.7	16.56	0	A₂	0.958
591.5	16.91	5.601	B₂	0.958
578.8	17.28	0.9479	A₁	0.958
559.3	17.88	4.015	B₁	0.958
551	18.15	0	A₂	0.958
550.5	18.16	2.604	B₁	0.958
549.6	18.2	0.9701	B₂	0.958
536.5	18.64	1.861	A₁	0.958
525.5	19.03	0.3295	B₁	0.958
519.4	19.25	0.6133	B₂	0.958
519.1	19.26	0	A₂	0.958
512.1	19.53	0.0246	A₁	0.958
490.9	20.37	2.069	B₂	0.958
474.9	21.06	0	A₂	0.958
460.7	21.71	5.681	B₂	0.958
456.6	21.9	0	A₂	0.958
449.9	22.23	2.183	B₁	0.958
448.6	22.29	1.158	A₁	0.958
429.9	23.26	0.0225	A₁	0.958
429.4	23.29	1.794	B₁	0.958
426.3	23.46	5.536	B₂	0.958
365.7	27.35	0	A₂	0.958
360.9	27.71	0.5206	B₂	0.958
335.8	29.78	0	A₂	0.958
334.4	29.9	0.0069	B₁	0.958
303.7	32.93	0	B₁	0.958
296.4	33.74	0	A₂	0.958
293.5	34.08	0.0022	A₁	0.958
280.7	35.62	7.758	B₂	0.958
273.5	36.57	1.225	A₁	0.958
249.8	40.03	5.819	B₁	0.958
231.9	43.11	0.0221	B₁	0.958
204.5	48.91	0	A₂	0.958
186.1	53.74	1.273	A₁	0.958
183.6	54.48	0.6693	B₂	0.958
170.6	58.63	0.2133	B₁	0.958
163.2	61.28	0	A₂	0.958
134.1	74.55	2.328	B₁	0.958
118.3	84.55	0	A₂	0.958
89.43	111.8	1.511	B₁	0.958
65.81	151.9	0	A₂	0.958
47.54	210.4	1.529	B₁	0.958
38.56	259.3	0	A₂	0.958
24.29	411.7	0.0265	B₁	0.958

Vibrations

Note(s):

C40H18+

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