NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3095	3.231	0	A	0.958
3095	3.231	0.6716	B	0.958
3094	3.232	1.063	B	0.958
3094	3.233	0.0105	A	0.958
3093	3.233	0	A	0.958
3093	3.233	0.0433	B	0.958
3082	3.245	0.167	B	0.958
3081	3.246	0	A	0.958
3081	3.246	0.0305	A	0.958
3080	3.246	1.367	B	0.958
3080	3.247	1.218	B	0.958
3079	3.247	0	A	0.958
1573	6.358	2.83	A	0.958
1573	6.358	21.85	B	0.958
1557	6.423	309.7	B	0.958
1555	6.43	21.53	A	0.958
1512	6.615	0	A	0.958
1500	6.666	0.1785	B	0.958
1488	6.719	4.322	B	0.958
1474	6.783	1.998	B	0.958
1474	6.784	0	A	0.958
1464	6.831	19.32	B	0.958
1447	6.911	0.2163	A	0.958
1433	6.98	0	A	0.958
1426	7.012	0.0897	B	0.958
1394	7.174	0.0026	A	0.958
1381	7.241	0.0711	A	0.958
1378	7.257	0	A	0.958
1369	7.304	7.354	B	0.958
1355	7.379	77.43	B	0.958
1341	7.457	0.0115	A	0.958
1338	7.472	23.43	A	0.958
1307	7.649	0.2338	B	0.958
1307	7.653	12.11	B	0.958
1294	7.73	50.53	B	0.958
1247	8.02	0	A	0.958
1230	8.133	0.3901	A	0.958
1216	8.225	7.602	A	0.958
1212	8.247	0.0016	B	0.958
1208	8.276	6.997	B	0.958
1204	8.309	32.98	B	0.958
1175	8.509	0.0016	A	0.958
1173	8.524	2.598	A	0.958
1158	8.634	0.0454	B	0.958
1158	8.636	0.1391	B	0.958
1145	8.734	13.37	B	0.958
1139	8.778	0.9057	B	0.958
1098	9.106	0.0001	A	0.958
1017	9.835	0.0689	B	0.958
1015	9.856	1.476	A	0.958
1012	9.882	0	A	0.958
1010	9.904	0.1554	A	0.958
999.4	10.01	0.2404	B	0.958
996.4	10.04	0	B	0.958
988.7	10.11	0	A	0.958
968	10.33	1.318	A	0.958
928	10.78	0	A	0.958
921.9	10.85	0	A	0.958
895.8	11.16	212.9	A	0.958
873.2	11.45	0.4224	B	0.958
870.9	11.48	0.0131	B	0.958
826.1	12.1	0	A	0.958
817.9	12.23	0.5074	A	0.958
800.7	12.49	18.85	B	0.958
789.1	12.67	2.262	B	0.958
788.1	12.69	34.85	B	0.958
762.6	13.11	0.0985	B	0.958
759.3	13.17	1.189	B	0.958
691.8	14.45	1.603	A	0.958
679.8	14.71	0.0353	B	0.958
674.8	14.82	0	A	0.958
673.1	14.86	0	A	0.958
671.5	14.89	0.0026	A	0.958
661.3	15.12	0.1002	B	0.958
640.5	15.61	1.308	B	0.958
639.7	15.63	0.4845	B	0.958
631.9	15.82	0	A	0.958
552.8	18.09	24.97	A	0.958
544.3	18.37	0.0465	B	0.958
496.4	20.14	0	A	0.958
488	20.49	0.4944	A	0.958
484.6	20.64	0	A	0.958
475.7	21.02	0.0022	A	0.958
467.3	21.4	0.1677	B	0.958
459.4	21.77	0.6964	A	0.958
429.9	23.26	0.4209	B	0.958
429.4	23.29	0.4057	B	0.958
382.9	26.12	0	A	0.958
378.1	26.45	3.298	B	0.958
377.8	26.47	0.6496	B	0.958
359	27.85	0.312	A	0.958
354.8	28.19	1.092	B	0.958
334.3	29.91	0.0001	A	0.958
299	33.45	1.505	B	0.958
291.1	34.36	2.068	B	0.958
278.3	35.93	0.0516	A	0.958
252	39.68	30.79	A	0.958
238.6	41.92	0	A	0.958
209.8	47.67	0.087	B	0.958
156.5	63.89	0.0056	B	0.958
110.7	90.33	1.392	B	0.958
99.32	100.7	2.845	A	0.958
91.29	109.5	2.696	B	0.958
84.24	118.7	0.3187	A	0.958
40.28	248.3	0	A	0.958

Vibrations

Note(s):

Fe+ - coronene+ quintet state

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