NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3096	3.23	5.545	A₁	0.958
3090	3.237	0.0134	A₁	0.958
3089	3.237	9.332	B₂	0.958
3082	3.245	1.947	B₂	0.958
3076	3.251	0.5913	A₁	0.958
3075	3.252	0.8074	A₁	0.958
3074	3.253	0.1459	B₂	0.958
3072	3.255	0.0539	A₁	0.958
3072	3.255	0.0079	B₂	0.958
2846	3.514	7.734	B₁	0.958
2840	3.521	39.16	A₁	0.958
1604	6.235	75.22	A₁	0.958
1589	6.292	51.4	B₂	0.958
1589	6.295	2.636	A₁	0.958
1547	6.464	119.2	A₁	0.958
1543	6.482	0.677	B₂	0.958
1498	6.674	34.93	B₂	0.958
1462	6.839	81.47	B₂	0.958
1436	6.966	3.121	A₁	0.958
1416	7.063	3.622	B₂	0.958
1414	7.072	89.13	A₁	0.958
1406	7.111	1.103	B₂	0.958
1400	7.145	25.02	A₁	0.958
1347	7.422	44.98	B₂	0.958
1347	7.425	16.05	A₁	0.958
1332	7.506	78.47	B₂	0.958
1329	7.525	158	A₁	0.958
1255	7.965	12.43	A₁	0.958
1253	7.98	4.438	B₂	0.958
1243	8.045	3.747	A₁	0.958
1213	8.241	6.768	B₂	0.958
1190	8.406	24.33	B₂	0.958
1178	8.487	0.663	B₂	0.958
1152	8.677	12.1	A₁	0.958
1135	8.811	0	A₂	0.958
1105	9.054	1.74	B₂	0.958
1080	9.258	0.1515	A₁	0.958
1075	9.3	20.4	B₂	0.958
1016	9.838	1.491	B₁	0.958
998.7	10.01	20.52	A₁	0.958
996.1	10.04	0	A₂	0.958
995.3	10.05	0.3007	B₁	0.958
953.6	10.49	27.87	B₁	0.958
943	10.6	0.0201	B₂	0.958
937.7	10.66	15.8	A₁	0.958
930.5	10.75	0	A₂	0.958
857.8	11.66	0	A₂	0.958
851	11.75	98.05	B₁	0.958
805.2	12.42	0.8224	B₁	0.958
804.9	12.42	0.9457	A₁	0.958
793.6	12.6	0	A₂	0.958
785.7	12.73	0.717	A₁	0.958
776.6	12.88	1.286	B₁	0.958
738.1	13.55	38.95	B₁	0.958
733.1	13.64	2.69	B₂	0.958
675.6	14.8	0.8334	A₁	0.958
667.9	14.97	0	A₂	0.958
662.2	15.1	1.198	B₁	0.958
563.6	17.74	2.596	A₁	0.958
542.6	18.43	0.5742	B₂	0.958
505.8	19.77	0	A₂	0.958
497.9	20.08	0.0087	B₁	0.958
497.9	20.08	0.1065	B₂	0.958
494.7	20.21	0.5049	B₁	0.958
489.1	20.44	0.0307	A₁	0.958
446.4	22.4	1.608	B₂	0.958
400.7	24.96	2.051	A₁	0.958
372.2	26.87	0	A₂	0.958
351.6	28.44	4.306	B₂	0.958
304.5	32.84	7.375	B₁	0.958
231.1	43.28	0	A₂	0.958
215.8	46.35	15.27	B₁	0.958
207.8	48.12	0.4849	B₁	0.958
141.9	70.48	0	A₂	0.958
85.43	117.1	3.851	B₁	0.958

Note(s):

Pyrene add H to 17 site 2

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