NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3097	3.229	5.55	A₁	0.958
3090	3.236	0.0148	A₁	0.958
3090	3.236	9.34	B₂	0.958
3083	3.244	1.92	B₂	0.958
3076	3.251	0.813	A₁	0.958
3076	3.251	0.592	A₁	0.958
3075	3.252	0.159	B₂	0.958
3073	3.254	0.0449	A₁	0.958
3072	3.255	0.0033	B₂	0.958
2849	3.51	7.69	B₁	0.958
2844	3.517	39.1	A₁	0.958
1604	6.235	75.3	A₁	0.958
1589	6.292	51.5	B₂	0.958
1588	6.295	2.56	A₁	0.958
1547	6.465	120	A₁	0.958
1543	6.482	0.667	B₂	0.958
1498	6.675	35.1	B₂	0.958
1462	6.839	81.5	B₂	0.958
1435	6.967	3.2	A₁	0.958
1416	7.064	3.61	B₂	0.958
1414	7.072	88.6	A₁	0.958
1406	7.113	1.15	B₂	0.958
1399	7.146	25.4	A₁	0.958
1347	7.424	47.5	B₂	0.958
1347	7.426	15.4	A₁	0.958
1331	7.511	76.1	B₂	0.958
1329	7.526	158	A₁	0.958
1255	7.966	12.5	A₁	0.958
1253	7.982	4.48	B₂	0.958
1243	8.046	3.69	A₁	0.958
1213	8.243	6.8	B₂	0.958
1189	8.408	24.4	B₂	0.958
1178	8.488	0.67	B₂	0.958
1152	8.678	12.1	A₁	0.958
1134	8.815	0	A₂	0.958
1104	9.055	1.64	B₂	0.958
1080	9.259	0.148	A₁	0.958
1075	9.305	20.4	B₂	0.958
1016	9.843	1.5	B₁	0.958
998.5	10.01	20.3	A₁	0.958
995.6	10.04	0	A₂	0.958
994.9	10.05	0.306	B₁	0.958
953.2	10.49	27.8	B₁	0.958
942.9	10.61	0.0215	B₂	0.958
936.8	10.67	16	A₁	0.958
930	10.75	0	A₂	0.958
857.2	11.67	0	A₂	0.958
850.6	11.76	97.8	B₁	0.958
805.1	12.42	0.891	B₁	0.958
804.8	12.42	0.947	A₁	0.958
793	12.61	0	A₂	0.958
785.6	12.73	0.718	A₁	0.958
776	12.89	1.29	B₁	0.958
737.7	13.56	39.1	B₁	0.958
733.1	13.64	2.69	B₂	0.958
675.5	14.8	0.847	A₁	0.958
667.8	14.97	0	A₂	0.958
661.9	15.11	1.19	B₁	0.958
563.4	17.75	2.62	A₁	0.958
542.7	18.43	0.572	B₂	0.958
505.6	19.78	0	A₂	0.958
497.8	20.09	0.0072	?A	0.958
497.8	20.09	0.107	?A	0.958
494.6	20.22	0.514	B₁	0.958
489.1	20.45	0.0315	A₁	0.958
446.4	22.4	1.61	B₂	0.958
400.7	24.96	2.05	A₁	0.958
372.2	26.87	0	A₂	0.958
351.6	28.44	4.31	B₂	0.958
303.5	32.95	7.21	B₁	0.958
231	43.28	0	A₂	0.958
215.2	46.46	15.6	B₁	0.958
207.4	48.22	0.279	B₁	0.958
142	70.42	0	A₂	0.958
85.3	117.2	3.89	B₁	0.958

Note(s):

Pyrene cation with extra H at site 2 (correct numbering)

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