NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3414	2.929	2.37	?A	0.958
3081	3.246	27.05	?A	0.958
3076	3.251	49.98	?A	0.958
3066	3.262	55.68	?A	0.958
3064	3.263	6.066	?A	0.958
3058	3.27	13.83	?A	0.958
3049	3.28	5.895	?A	0.958
3049	3.28	0.1225	?A	0.958
3044	3.285	1.759	?A	0.958
3033	3.297	22.88	?A	0.958
2842	3.519	62.94	?A	0.958
1601	6.247	3.143	?A	0.958
1590	6.289	3.622	?A	0.958
1556	6.426	1.107	?A	0.958
1538	6.501	3.464	?A	0.958
1496	6.682	4.444	?A	0.958
1488	6.722	2.071	?A	0.958
1440	6.943	4.728	?A	0.958
1431	6.99	7.489	?A	0.958
1422	7.034	1.638	?A	0.958
1414	7.072	5.2	?A	0.958
1395	7.17	3.545	?A	0.958
1356	7.377	3.664	?A	0.958
1333	7.5	1.55	?A	0.958
1321	7.571	0.8437	?A	0.958
1307	7.651	5.829	?A	0.958
1277	7.832	7.555	?A	0.958
1246	8.027	1.951	?A	0.958
1241	8.055	4.061	?A	0.958
1209	8.273	2.435	?A	0.958
1193	8.385	0.583	?A	0.958
1182	8.457	2.675	?A	0.958
1180	8.477	12.58	?A	0.958
1162	8.602	31.39	?A	0.958
1157	8.644	24.13	?A	0.958
1092	9.158	3.663	?A	0.958
1088	9.194	14.88	?A	0.958
1071	9.334	3.875	?A	0.958
1031	9.702	4.523	?A	0.958
988.6	10.12	0.1763	?A	0.958
980.8	10.2	0.3262	?A	0.958
971	10.3	0.3704	?A	0.958
963.3	10.38	0.1498	?A	0.958
932.4	10.72	11.69	?A	0.958
914.6	10.93	1.961	?A	0.958
876.5	11.41	0.3124	?A	0.958
855.1	11.69	27.67	?A	0.958
832.3	12.01	121.6	?A	0.958
822.6	12.16	15.18	?A	0.958
806.7	12.4	3.177	?A	0.958
790.7	12.65	4.756	?A	0.958
767.7	13.03	5.571	?A	0.958
764.3	13.08	15.59	?A	0.958
743.5	13.45	8.918	?A	0.958
715.3	13.98	6.05	?A	0.958
707.1	14.14	23.16	?A	0.958
678.3	14.74	4.397	?A	0.958
640.1	15.62	11.23	?A	0.958
588	17.01	5.994	?A	0.958
562.7	17.77	0.5099	?A	0.958
553.7	18.06	3.064	?A	0.958
543.8	18.39	0.5044	?A	0.958
518.9	19.27	0.7925	?A	0.958
499.9	20.01	1.203	?A	0.958
482	20.74	0.2845	?A	0.958
471.5	21.21	3.262	?A	0.958
437.6	22.85	0.6277	?A	0.958
409.1	24.44	0.8536	?A	0.958
376.1	26.59	2.582	?A	0.958
345.9	28.91	0.3896	?A	0.958
307.3	32.54	2.228	?A	0.958
263	38.02	5.165	?A	0.958
228.6	43.75	26.95	?A	0.958
211.3	47.32	111.8	?A	0.958
186.2	53.69	5.69	?A	0.958
148.5	67.36	5.42	?A	0.958
101.5	98.53	0.4992	?A	0.958
37.42	267.2	0.3588	?A	0.958

Vibrations

Note(s):

Pyrene 3OH 3H py3oh3h

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