NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3078	3.249	51.73	A₁	0.958
3074	3.253	38.33	A₁	0.958
3073	3.254	62.94	B₂	0.958
3062	3.266	36.63	B₂	0.958
3059	3.269	37.85	A₁	0.958
3059	3.27	2.022	B₂	0.958
3049	3.28	0.264	A₁	0.958
3047	3.281	0.7116	A₁	0.958
3047	3.282	0.2806	B₂	0.958
3046	3.283	25.12	B₂	0.958
3045	3.284	0.3407	A₁	0.958
3042	3.287	0.7463	B₂	0.958
1625	6.153	0.0218	B₂	0.958
1604	6.235	0.4496	B₂	0.958
1602	6.244	2.403	B₂	0.958
1597	6.264	1.893	A₁	0.958
1589	6.295	5.141	A₁	0.958
1567	6.383	0.0015	A₁	0.958
1500	6.668	4.438	A₁	0.958
1480	6.755	8.118	B₂	0.958
1464	6.831	4.093	B₂	0.958
1439	6.949	38.72	A₁	0.958
1438	6.953	0.9904	B₂	0.958
1427	7.007	32.71	A₁	0.958
1410	7.094	2.857	A₁	0.958
1395	7.17	1.921	A₁	0.958
1362	7.344	0.1007	B₂	0.958
1351	7.404	0.0239	A₁	0.958
1339	7.469	0.5269	A₁	0.958
1338	7.475	0.6615	B₂	0.958
1264	7.91	0.578	A₁	0.958
1261	7.931	7.072	B₂	0.958
1243	8.044	0.8332	B₂	0.958
1223	8.175	0.0001	B₂	0.958
1205	8.302	3.344	B₂	0.958
1198	8.346	1.637	A₁	0.958
1186	8.432	0.3753	A₁	0.958
1171	8.543	0.0013	A₁	0.958
1169	8.551	1.461	B₂	0.958
1144	8.742	0.0309	B₂	0.958
1092	9.156	2.816	B₂	0.958
1077	9.285	0.8275	A₁	0.958
1036	9.648	2.119	A₁	0.958
1018	9.825	3.442	A₁	0.958
1011	9.896	0.4397	B₂	0.958
987.5	10.13	0	A₂	0.958
979.9	10.21	1.242	B₁	0.958
971.2	10.3	0	A₂	0.958
952.9	10.49	5.5	B₁	0.958
945.2	10.58	0.1407	B₂	0.958
912.9	10.95	0.6015	A₁	0.958
912	10.96	0.3916	B₁	0.958
910.3	10.98	0	A₂	0.958
898.3	11.13	0	A₂	0.958
888.9	11.25	28.43	B₁	0.958
874.2	11.44	1.05	B₂	0.958
851.1	11.75	0	A₂	0.958
825.8	12.11	67.97	B₁	0.958
802.4	12.46	0.9904	A₁	0.958
775.4	12.9	0	A₂	0.958
772.2	12.95	27.15	B₁	0.958
758.9	13.18	0	A₂	0.958
752.5	13.29	0.1155	A₁	0.958
746.9	13.39	49.7	B₁	0.958
718.3	13.92	0	A₂	0.958
691.2	14.47	0.8064	B₂	0.958
668.7	14.95	0.0001	A₁	0.958
628	15.92	0	A₂	0.958
620.2	16.12	2.683	B₁	0.958
606.4	16.49	5.102	A₁	0.958
590.3	16.94	0.6989	B₂	0.958
555.4	18	4.492	A₁	0.958
555.1	18.01	0	A₂	0.958
542.7	18.43	0.0155	B₂	0.958
499.6	20.01	0.1217	B₂	0.958
474.9	21.06	10.89	B₁	0.958
462	21.65	0.4927	B₁	0.958
452	22.12	0.5875	A₁	0.958
449.3	22.26	0	A₂	0.958
408.1	24.5	0.029	B₁	0.958
325.4	30.73	1.807	B₁	0.958
314.3	31.81	0.454	B₂	0.958
284	35.21	0.0066	A₁	0.958
278.9	35.85	0	A₂	0.958
208.7	47.93	0	A₂	0.958
166.8	59.96	2.279	B₁	0.958
162.7	61.46	0.151	B₁	0.958
139.9	71.5	0.0676	B₂	0.958
81.31	123	0	A₂	0.958
59.6	167.8	0.8755	B₁	0.958

Vibrations

Note(s):

Benzo[k]fluoranthene

You are kindly asked to consider the following references for citation when using the database:

C.W. Bauschlicher, Jr., A. Ricca, C. Boersma, L.J. Allamandola, "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
C. Boersma, C.W. Bauschlicher, Jr., A. Ricca, A.L. Mattioda, J. Cami, E. Peeters, F. Sánchez de Armas, G. Puerta Saborido, D.M. Hudgins, and L.J. Allamandola, "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