NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3461	2.889	76.77	?A	0.958
3098	3.228	5.057	?A	0.958
3095	3.231	3.331	?A	0.958
3092	3.234	4.791	?A	0.958
3091	3.235	3.281	?A	0.958
3084	3.243	1.817	?A	0.958
3077	3.249	0.1632	?A	0.958
3076	3.252	0.0919	?A	0.958
3075	3.252	0.28	?A	0.958
3072	3.255	0.2363	?A	0.958
2661	3.758	53.69	?A	0.958
1605	6.232	100.5	?A	0.958
1589	6.292	31.35	?A	0.958
1588	6.296	22.77	?A	0.958
1547	6.465	127.2	?A	0.958
1537	6.506	2.355	?A	0.958
1498	6.677	37.6	?A	0.958
1462	6.841	85.3	?A	0.958
1434	6.971	9.498	?A	0.958
1418	7.052	80.99	?A	0.958
1411	7.085	4.79	?A	0.958
1402	7.135	7.63	?A	0.958
1395	7.17	12.05	?A	0.958
1347	7.422	46.46	?A	0.958
1341	7.456	60.74	?A	0.958
1330	7.519	40.26	?A	0.958
1256	7.964	5.95	?A	0.958
1250	7.998	22.4	?A	0.958
1246	8.029	15.77	?A	0.958
1219	8.201	14.24	?A	0.958
1197	8.356	1.741	?A	0.958
1185	8.439	19.03	?A	0.958
1170	8.548	6.179	?A	0.958
1151	8.691	2.906	?A	0.958
1113	8.988	83.79	?A	0.958
1099	9.098	7.149	?A	0.958
1079	9.264	5.836	?A	0.958
1072	9.324	25.01	?A	0.958
1017	9.833	10.87	?A	0.958
1015	9.85	61.53	?A	0.958
996.4	10.04	0.0128	?A	0.958
994.8	10.05	0.0914	?A	0.958
971.6	10.29	91.58	?A	0.958
954	10.48	6.148	?A	0.958
930.3	10.75	0.6715	?A	0.958
927.1	10.79	27.9	?A	0.958
890.2	11.23	41.96	?A	0.958
857.4	11.66	5.96	?A	0.958
849.6	11.77	80.56	?A	0.958
803.6	12.44	3.208	?A	0.958
801.6	12.48	1.678	?A	0.958
792.5	12.62	0.7053	?A	0.958
772.6	12.94	1.69	?A	0.958
754.3	13.26	5.788	?A	0.958
747.5	13.38	3.044	?A	0.958
698.6	14.32	28.81	?A	0.958
665.5	15.03	0.4521	?A	0.958
622	16.08	13.64	?A	0.958
574.1	17.42	5.049	?A	0.958
554.6	18.03	1.54	?A	0.958
524.9	19.05	8.245	?A	0.958
502.5	19.9	0.37	?A	0.958
496.5	20.14	0.6835	?A	0.958
495.8	20.17	1.9	?A	0.958
486.9	20.54	0.191	?A	0.958
481.4	20.77	0.6202	?A	0.958
458.1	21.83	2.798	?A	0.958
404.4	24.73	3.487	?A	0.958
366.5	27.29	2.181	?A	0.958
360.2	27.77	0.283	?A	0.958
271.5	36.84	42.65	?A	0.958
266.7	37.49	0.7982	?A	0.958
249.1	40.14	108.4	?A	0.958
210.8	47.43	12.64	?A	0.958
206.9	48.34	10.62	?A	0.958
139.3	71.8	0.2414	?A	0.958
133.9	74.71	5.291	?A	0.958
62.09	161	0.942	?A	0.958

Vibrations

Note(s):

Pyrene 1-OH 1-H cation py1oh1h

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

C.W. Bauschlicher, Jr., A. Ricca, C. Boersma, L.J. Allamandola, "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
C. Boersma, C.W. Bauschlicher, Jr., A. Ricca, A.L. Mattioda, J. Cami, E. Peeters, F. Sánchez de Armas, G. Puerta Saborido, D.M. Hudgins, and L.J. Allamandola, "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