NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3463	2.888	61.8	?A	0.958
3107	3.218	1.62	?A	0.958
3106	3.219	0.848	?A	0.958
3092	3.234	5.71	?A	0.958
3091	3.236	3.21	?A	0.958
3081	3.246	0.0576	?A	0.958
3077	3.25	0.695	?A	0.958
3074	3.253	0.131	?A	0.958
3072	3.255	0.295	?A	0.958
3064	3.263	0.0623	?A	0.958
2757	3.627	19.7	?A	0.958
1605	6.229	209	?A	0.958
1587	6.303	41.8	?A	0.958
1574	6.353	34.8	?A	0.958
1540	6.493	28.4	?A	0.958
1531	6.531	9.26	?A	0.958
1494	6.693	30.2	?A	0.958
1464	6.832	65.9	?A	0.958
1436	6.963	35.2	?A	0.958
1425	7.017	3.87	?A	0.958
1409	7.097	62.3	?A	0.958
1400	7.143	35.5	?A	0.958
1372	7.29	184	?A	0.958
1350	7.406	35.1	?A	0.958
1341	7.458	25	?A	0.958
1315	7.606	15.7	?A	0.958
1274	7.848	5.69	?A	0.958
1250	8.001	10.3	?A	0.958
1235	8.094	4.59	?A	0.958
1232	8.115	31.2	?A	0.958
1194	8.376	2.32	?A	0.958
1188	8.417	34	?A	0.958
1187	8.423	11.1	?A	0.958
1162	8.607	16.3	?A	0.958
1143	8.746	77.8	?A	0.958
1095	9.13	33.1	?A	0.958
1091	9.17	10.1	?A	0.958
1069	9.354	5.6	?A	0.958
1039	9.628	0.765	?A	0.958
1018	9.82	0.124	?A	0.958
1010	9.896	1.24	?A	0.958
992.5	10.08	2.82	?A	0.958
991.2	10.09	15	?A	0.958
976.1	10.24	65.9	?A	0.958
967	10.34	3.49	?A	0.958
944	10.59	4.72	?A	0.958
924.1	10.82	9.91	?A	0.958
884.2	11.31	9.96	?A	0.958
847	11.81	90.9	?A	0.958
819.9	12.2	1.8	?A	0.958
810.9	12.33	1.28	?A	0.958
782.8	12.78	1.22	?A	0.958
780.3	12.82	11	?A	0.958
767.2	13.03	9.55	?A	0.958
713.5	14.02	6.64	?A	0.958
702.2	14.24	27.9	?A	0.958
668.6	14.96	3.11	?A	0.958
640.5	15.61	9.73	?A	0.958
592.7	16.87	0.135	?A	0.958
565.9	17.67	0.472	?A	0.958
548.1	18.25	3.9	?A	0.958
517.7	19.32	3.91	?A	0.958
501.8	19.93	0.998	?A	0.958
497.8	20.09	1.45	?A	0.958
480.2	20.82	1.45	?A	0.958
465.5	21.48	0.0642	?A	0.958
433.8	23.05	0.51	?A	0.958
407.9	24.51	0.563	?A	0.958
378.1	26.45	3.02	?A	0.958
342.6	29.19	1.88	?A	0.958
298.2	33.54	17.1	?A	0.958
253	39.53	3.38	?A	0.958
237.4	42.13	11	?A	0.958
206	48.55	17.2	?A	0.958
173.5	57.63	75.6	?A	0.958
152.9	65.42	8.44	?A	0.958
104.6	95.62	2.02	?A	0.958
58.54	170.8	0.416	?A	0.958

Vibrations

Note(s):

Pyrene 3OH 3H cation py3oh3h

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