NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3075	3.252	14.1	A₁	0.958
3074	3.253	93.8	B₂	0.958
3065	3.263	73.9	A₁	0.958
3063	3.265	20.1	B₂	0.958
3057	3.271	25.2	A₁	0.958
3056	3.272	4.84	B₂	0.958
3049	3.28	4.31	A₁	0.958
3047	3.282	1.34	B₂	0.958
3045	3.284	3.15	A₁	0.958
3044	3.285	6.12	A₁	0.958
3042	3.287	3	B₂	0.958
1592	6.283	6.7	A₁	0.958
1567	6.382	9.62	B₂	0.958
1546	6.468	0.257	A₁	0.958
1537	6.505	3.68	B₂	0.958
1536	6.512	3.82	A₁	0.958
1516	6.596	0.0663	B₂	0.958
1482	6.746	2.27	B₂	0.958
1471	6.8	6.27	A₁	0.958
1442	6.934	1.26	A₁	0.958
1430	6.992	0.0839	B₂	0.958
1427	7.008	0.0932	A₁	0.958
1417	7.06	3	B₂	0.958
1383	7.23	0.0447	A₁	0.958
1377	7.263	2.23	B₂	0.958
1357	7.368	4.15	B₂	0.958
1324	7.555	0.0205	B₂	0.958
1313	7.616	4.01	A₁	0.958
1296	7.716	1.73	A₁	0.958
1259	7.94	0.0235	A₁	0.958
1247	8.017	3.42	B₂	0.958
1219	8.203	0.0077	A₁	0.958
1196	8.361	0.887	B₂	0.958
1187	8.422	6.06	A₁	0.958
1187	8.426	2.87	B₂	0.958
1180	8.476	0.582	B₂	0.958
1157	8.64	0.61	B₂	0.958
1151	8.691	2.33	A₁	0.958
1111	9	1.42	A₁	0.958
1089	9.186	2.53	B₂	0.958
1059	9.447	0.474	A₁	0.958
1036	9.652	0.425	B₂	0.958
974.4	10.26	0.176	B₁	0.958
969	10.32	0	A₂	0.958
965.5	10.36	0.968	B₁	0.958
956	10.46	0	A₂	0.958
944.9	10.58	0.667	A₁	0.958
937.5	10.67	0.0538	B₂	0.958
887	11.27	0.0443	B₁	0.958
874.8	11.43	0	A₂	0.958
853.2	11.72	119	B₁	0.958
826	12.11	6.35	B₁	0.958
817.1	12.24	0.002	A₁	0.958
814.9	12.27	0	A₂	0.958
799.7	12.5	0.406	B₁	0.958
783.5	12.76	2.23	B₂	0.958
761.5	13.13	0	A₂	0.958
749.3	13.35	0.567	B₂	0.958
745.5	13.41	33.9	B₁	0.958
728.5	13.73	0	A₂	0.958
689.3	14.51	0.305	A₁	0.958
683.2	14.64	14.6	B₁	0.958
647.6	15.44	0.22	A₁	0.958
613.4	16.3	7.67	B₁	0.958
602.4	16.6	0	A₂	0.958
577.5	17.31	1.78	B₂	0.958
546.9	18.28	0.187	A₁	0.958
516.6	19.36	0	A₂	0.958
515.8	19.39	0.513	B₁	0.958
515.3	19.41	0.003	B₂	0.958
505.3	19.79	0.294	A₁	0.958
487.8	20.5	3.04	B₁	0.958
449.9	22.23	0	A₂	0.958
438.4	22.81	2.34	B₂	0.958
398.5	25.09	0.208	A₁	0.958
385.5	25.94	0.0064	B₂	0.958
323.2	30.94	0.0859	B₁	0.958
304.6	32.83	1.3	A₁	0.958
282	35.46	0	A₂	0.958
254.2	39.34	1.12	B₁	0.958
207.7	48.15	0	A₂	0.958
177.3	56.4	4.1	B₁	0.958
97.51	102.6	0	A₂	0.958
95.82	104.4	1.02	B₁	0.958

Vibrations

Note(s):

Neutral The electronic state is 2-B1.

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

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, 282, 7, 2025 10.3847/1538-4365/ae1c38 — 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
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