NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3105	3.221	49.8	A₁	0.958
3103	3.222	46.91	A₁	0.958
3100	3.226	39.16	B₂	0.958
3096	3.23	7.423	B₂	0.958
3086	3.24	11.04	A₁	0.958
3081	3.245	0.0264	A₁	0.958
3078	3.249	0.4432	B₂	0.958
3076	3.251	6.602	B₂	0.958
3069	3.258	44.98	A₁	0.958
3068	3.26	15.47	A₁	0.958
3067	3.261	160.1	B₂	0.958
3065	3.263	17.68	A₁	0.958
3065	3.263	9.136	B₂	0.958
3054	3.274	1.797	B₂	0.958
3050	3.279	4.014	A₁	0.958
3050	3.279	0.2677	B₂	0.958
3044	3.285	3.791	A₁	0.958
3044	3.285	0.0164	B₂	0.958
1612	6.202	3.964	A₁	0.958
1612	6.203	2.155	B₂	0.958
1599	6.253	1.464	B₂	0.958
1592	6.28	10.54	B₂	0.958
1588	6.298	7.045	A₁	0.958
1586	6.303	5.163	A₁	0.958
1579	6.334	1.78	B₂	0.958
1567	6.381	3.11	B₂	0.958
1566	6.386	0.3987	A₁	0.958
1561	6.407	0.0047	A₁	0.958
1546	6.468	1.833	B₂	0.958
1519	6.585	14.94	A₁	0.958
1514	6.604	0.1808	B₂	0.958
1499	6.67	3.623	A₁	0.958
1488	6.72	0.324	A₁	0.958
1484	6.74	6.009	B₂	0.958
1466	6.819	2.118	A₁	0.958
1465	6.828	0.8588	B₂	0.958
1455	6.875	0.4541	B₂	0.958
1450	6.895	21.5	A₁	0.958
1432	6.985	3.929	B₂	0.958
1426	7.011	10.14	B₂	0.958
1425	7.018	0.039	A₁	0.958
1410	7.093	0.0386	A₁	0.958
1401	7.136	20.01	B₂	0.958
1383	7.23	3.181	A₁	0.958
1378	7.257	9.121	B₂	0.958
1370	7.301	0.5623	B₂	0.958
1359	7.358	7.99	A₁	0.958
1354	7.388	1.192	B₂	0.958
1343	7.447	0.0665	A₁	0.958
1339	7.467	2.542	A₁	0.958
1333	7.499	2.344	A₁	0.958
1325	7.545	6.771	B₂	0.958
1317	7.595	0.6386	B₂	0.958
1313	7.613	7.743	A₁	0.958
1298	7.706	0.1396	A₁	0.958
1295	7.725	0.4757	B₂	0.958
1283	7.796	4.663	B₂	0.958
1282	7.802	0.6249	A₁	0.958
1263	7.92	0.2516	A₁	0.958
1260	7.937	2.737	A₁	0.958
1240	8.066	1.639	B₂	0.958
1236	8.089	2.742	A₁	0.958
1225	8.163	2.741	B₂	0.958
1215	8.232	2.037	A₁	0.958
1208	8.276	1.578	B₂	0.958
1201	8.328	0.8354	A₁	0.958
1197	8.356	1.57	B₂	0.958
1188	8.417	1.965	A₁	0.958
1181	8.466	0.1867	A₁	0.958
1165	8.585	4.112	B₂	0.958
1163	8.597	2.785	A₁	0.958
1160	8.619	2.139	B₂	0.958
1121	8.924	0.7976	B₂	0.958
1107	9.036	0.0579	A₁	0.958
1094	9.137	2.768	A₁	0.958
1092	9.16	1.585	B₂	0.958
1071	9.341	4.41	B₂	0.958
1056	9.468	2.235	A₁	0.958
1040	9.614	2.501	A₁	0.958
1032	9.686	2.029	A₁	0.958
999.3	10.01	0.0001	B₂	0.958
982.9	10.17	0	A₂	0.958
979	10.21	0	A₂	0.958
978.4	10.22	0.5528	B₁	0.958
969.2	10.32	0	A₂	0.958
968.3	10.33	1.184	B₁	0.958
962.4	10.39	1.844	B₂	0.958
946.3	10.57	0	A₂	0.958
938.7	10.65	3.284	B₁	0.958
932.7	10.72	2.085	B₂	0.958
918.5	10.89	0.6809	A₁	0.958
897.4	11.14	15.12	B₁	0.958
897.3	11.15	0	A₂	0.958
881.7	11.34	0	A₂	0.958
881.4	11.35	0.0328	B₂	0.958
875	11.43	57.32	B₁	0.958
859.2	11.64	0	A₂	0.958
848.2	11.79	1.302	A₁	0.958
827.9	12.08	8.376	B₁	0.958
827.8	12.08	0	A₂	0.958
817.8	12.23	0.7694	A₁	0.958
814.6	12.28	93.89	B₁	0.958
794.6	12.58	0	A₂	0.958
793.2	12.61	0.0143	B₂	0.958
785.7	12.73	0.9692	B₁	0.958
776.8	12.87	0	A₂	0.958
770.2	12.98	1.612	B₂	0.958
763.8	13.09	1.725	B₁	0.958
761.8	13.13	0	A₂	0.958
755.7	13.23	76.36	B₁	0.958
752.9	13.28	0.6227	A₁	0.958
748	13.37	0	A₂	0.958
729.7	13.7	0	A₂	0.958
723.3	13.82	0.405	A₁	0.958
716	13.97	3.055	B₁	0.958
714.8	13.99	0.1301	B₂	0.958
677.7	14.75	0	A₂	0.958
676.8	14.77	2.101	B₁	0.958
666.6	15	0.2906	B₂	0.958
655.1	15.26	0.1808	B₂	0.958
649	15.41	5.943	A₁	0.958
640.3	15.62	11.93	B₁	0.958
633	15.8	1.893	A₁	0.958
623.5	16.04	0	A₂	0.958
611.4	16.36	0	A₂	0.958
593.6	16.85	2.859	B₂	0.958
579.2	17.27	0.3634	A₁	0.958
565.1	17.7	3.442	B₁	0.958
557.5	17.94	1.408	B₁	0.958
554	18.05	0	A₂	0.958
551.5	18.13	0.0509	B₂	0.958
539.7	18.53	0.4379	A₁	0.958
530.4	18.85	3.562	B₁	0.958
527	18.97	0	A₂	0.958
521.2	19.19	5.601	B₂	0.958
511.9	19.54	0.08	A₁	0.958
491.9	20.33	1.941	B₂	0.958
486.5	20.55	0	A₂	0.958
461.7	21.66	0	A₂	0.958
461.5	21.67	0.2811	B₂	0.958
455.1	21.97	0.7642	B₁	0.958
449.5	22.25	0.6941	A₁	0.958
436.3	22.92	1.483	B₁	0.958
429.6	23.28	0.9618	A₁	0.958
426.7	23.43	0	B₂	0.958
371.6	26.91	0	A₂	0.958
361.3	27.68	0.145	B₂	0.958
338.1	29.58	0	A₂	0.958
334.4	29.91	0.1004	B₁	0.958
307.7	32.49	0.0174	B₁	0.958
301.9	33.13	0	A₂	0.958
294.3	33.98	0.0269	A₁	0.958
284.9	35.09	0.0518	B₂	0.958
273.7	36.54	0.5431	A₁	0.958
255.8	39.1	4.223	B₁	0.958
234.8	42.58	0.143	B₁	0.958
206.4	48.46	0	A₂	0.958
185	54.07	0.4753	A₁	0.958
184.4	54.23	0.2748	B₂	0.958
170.8	58.55	0.2872	B₁	0.958
165.2	60.53	0	A₂	0.958
134.7	74.24	1.184	B₁	0.958
120.8	82.78	0	A₂	0.958
82.75	120.9	0.8316	B₁	0.958
66.57	150.2	0	A₂	0.958
45.86	218.1	0.531	B₁	0.958
34.8	287.4	0	A₂	0.958
24.09	415	0.0037	B₁	0.958

Vibrations

Note(s):

C40H18 C2v

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