NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3102	3.224	17.86	A₁	0.958
3096	3.23	15.38	A₁	0.958
3096	3.23	10.88	B₂	0.958
3089	3.238	3.646	B₂	0.958
3080	3.247	1.107	A₁	0.958
3080	3.247	1.374	B₂	0.958
3074	3.253	0.5554	A₁	0.958
3074	3.253	0.6071	B₂	0.958
3072	3.255	2.431	A₁	0.958
3070	3.258	3.385	B₂	0.958
3067	3.261	0.027	A₁	0.958
3065	3.262	2.059	B₂	0.958
1586	6.305	9.636	A₁	0.958
1564	6.392	316.8	A₁	0.958
1559	6.416	65.4	B₂	0.958
1548	6.459	0.0025	B₂	0.958
1539	6.497	142	A₁	0.958
1515	6.6	37.45	B₂	0.958
1505	6.642	61.25	A₁	0.958
1480	6.757	3.196	B₂	0.958
1450	6.896	0.2565	B₂	0.958
1450	6.899	0.34	A₁	0.958
1440	6.942	19.07	A₁	0.958
1416	7.063	16.56	B₂	0.958
1413	7.079	37	A₁	0.958
1383	7.231	291.9	A₁	0.958
1347	7.421	0.8701	B₂	0.958
1336	7.485	359.5	A₁	0.958
1336	7.486	15.39	B₂	0.958
1321	7.571	436.7	A₁	0.958
1278	7.826	98.01	A₁	0.958
1263	7.915	21.19	B₂	0.958
1243	8.043	0.005	B₂	0.958
1228	8.145	32.89	B₂	0.958
1214	8.239	132	A₁	0.958
1197	8.353	97.17	A₁	0.958
1189	8.411	58.26	B₂	0.958
1184	8.447	55.02	A₁	0.958
1156	8.648	84.61	B₂	0.958
1128	8.865	6.294	B₂	0.958
1089	9.18	21.83	B₂	0.958
1081	9.249	1.862	A₁	0.958
1051	9.519	0.195	A₁	0.958
1028	9.726	16.39	A₁	0.958
1014	9.86	17.69	B₂	0.958
1013	9.874	0	A₂	0.958
1006	9.944	0.21	B₁	0.958
997.3	10.03	0	A₂	0.958
972	10.29	4.815	B₁	0.958
941.6	10.62	1.875	B₂	0.958
940.4	10.63	1.181	B₁	0.958
929.7	10.76	0	A₂	0.958
919.6	10.87	0	A₂	0.958
916.2	10.91	2.991	A₁	0.958
911.6	10.97	19.22	B₁	0.958
869.7	11.5	4.285	B₂	0.958
867.7	11.52	0	A₂	0.958
827	12.09	71.02	B₁	0.958
802.7	12.46	1.369	A₁	0.958
781.1	12.8	0	A₂	0.958
761.4	13.13	0.076	B₁	0.958
752.8	13.28	0.8404	A₁	0.958
752.7	13.29	82.39	B₁	0.958
742.8	13.46	0	A₂	0.958
711.4	14.06	0	A₂	0.958
683.1	14.64	4.281	B₂	0.958
662.9	15.08	4.953	A₁	0.958
611.2	16.36	0	A₂	0.958
603	16.58	3.244	B₁	0.958
600.5	16.65	6.888	A₁	0.958
585.7	17.07	2.968	B₂	0.958
552.8	18.09	5.421	A₁	0.958
536.5	18.64	0.8911	B₂	0.958
531.7	18.81	0	A₂	0.958
479.2	20.87	2.594	B₂	0.958
454.5	22	2.627	B₁	0.958
449.9	22.23	2.604	A₁	0.958
446.2	22.41	14.96	B₁	0.958
433.4	23.07	0	A₂	0.958
398.5	25.09	0.9819	B₁	0.958
309.1	32.35	2.933	B₁	0.958
307.5	32.52	1.171	B₂	0.958
283.4	35.29	0.6092	A₁	0.958
275.5	36.3	0	A₂	0.958
205.7	48.62	0	A₂	0.958
164.5	60.79	3.947	B₁	0.958
154.9	64.57	0.4215	B₁	0.958
134.6	74.28	1.466	B₂	0.958
80.75	123.8	0	A₂	0.958
57.63	173.5	2.14	B₁	0.958

Vibrations

Note(s):

Benzo[k]fluoranthene cation

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