NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3116	3.209	32.61	?A	0.958
3108	3.217	17.83	?A	0.958
3081	3.246	53.75	?A	0.958
3080	3.247	50.16	?A	0.958
3080	3.247	15.56	?A	0.958
3080	3.247	37.77	?A	0.958
3069	3.258	10.23	?A	0.958
3069	3.259	14.45	?A	0.958
3064	3.264	0.1921	?A	0.958
3063	3.265	4.641	?A	0.958
3062	3.265	6.694	?A	0.958
3062	3.266	2.171	?A	0.958
3060	3.268	5.04	?A	0.958
3060	3.268	18.7	?A	0.958
3059	3.269	8.613	?A	0.958
3059	3.269	0.4109	?A	0.958
3058	3.27	2.989	?A	0.958
3056	3.272	17.04	?A	0.958
2968	3.369	6.918	?A	0.958
2920	3.424	9.424	?A	0.958
1605	6.232	0.0535	?A	0.958
1601	6.246	10.45	?A	0.958
1594	6.274	2.409	?A	0.958
1584	6.313	36.99	?A	0.958
1584	6.313	3.519	?A	0.958
1571	6.364	1043	?A	0.958
1568	6.378	14.47	?A	0.958
1563	6.396	32.91	?A	0.958
1562	6.404	107.2	?A	0.958
1551	6.447	4.072	?A	0.958
1545	6.47	2.344	?A	0.958
1541	6.491	11.2	?A	0.958
1535	6.514	6.901	?A	0.958
1505	6.645	9.108	?A	0.958
1502	6.66	0.3045	?A	0.958
1496	6.683	7.705	?A	0.958
1494	6.692	84.23	?A	0.958
1487	6.725	187.7	?A	0.958
1483	6.745	65.64	?A	0.958
1474	6.782	12.62	?A	0.958
1471	6.797	23.7	?A	0.958
1468	6.81	11.96	?A	0.958
1461	6.845	0.6454	?A	0.958
1457	6.863	5.197	?A	0.958
1450	6.897	6.475	?A	0.958
1449	6.903	5.032	?A	0.958
1441	6.941	11.15	?A	0.958
1439	6.948	2.446	?A	0.958
1429	6.998	2.087	?A	0.958
1423	7.027	2.913	?A	0.958
1421	7.038	27.01	?A	0.958
1417	7.055	0.8321	?A	0.958
1408	7.105	0.1588	?A	0.958
1401	7.137	3.648	?A	0.958
1399	7.148	3.167	?A	0.958
1395	7.168	0.2902	?A	0.958
1393	7.18	14.16	?A	0.958
1387	7.209	4.267	?A	0.958
1384	7.224	3.293	?A	0.958
1382	7.234	3.516	?A	0.958
1382	7.238	0.1494	?A	0.958
1377	7.263	35.29	?A	0.958
1370	7.297	19.68	?A	0.958
1367	7.315	50.85	?A	0.958
1365	7.325	10.33	?A	0.958
1356	7.376	40.52	?A	0.958
1353	7.392	91.45	?A	0.958
1337	7.482	13.31	?A	0.958
1333	7.5	13.55	?A	0.958
1324	7.555	13.19	?A	0.958
1313	7.617	106.6	?A	0.958
1311	7.627	180.3	?A	0.958
1309	7.641	5.633	?A	0.958
1293	7.732	92.68	?A	0.958
1284	7.789	1.464	?A	0.958
1279	7.821	2.035	?A	0.958
1277	7.829	9.789	?A	0.958
1266	7.899	12.03	?A	0.958
1262	7.926	35.74	?A	0.958
1255	7.967	464.1	?A	0.958
1253	7.978	8.805	?A	0.958
1239	8.068	63.51	?A	0.958
1234	8.107	27.4	?A	0.958
1210	8.264	3.518	?A	0.958
1208	8.281	23.63	?A	0.958
1197	8.354	2.969	?A	0.958
1193	8.385	79.08	?A	0.958
1183	8.454	1.552	?A	0.958
1182	8.461	7.306	?A	0.958
1175	8.513	42.23	?A	0.958
1157	8.642	1.032	?A	0.958
1154	8.669	0.3504	?A	0.958
1144	8.738	9.948	?A	0.958
1119	8.939	0.845	?A	0.958
1117	8.95	0.0029	?A	0.958
1095	9.134	2.994	?A	0.958
1091	9.168	6.055	?A	0.958
1068	9.367	19.51	?A	0.958
1053	9.493	2.65	?A	0.958
1033	9.677	1.768	?A	0.958
1021	9.794	0.2835	?A	0.958
1016	9.843	10.5	?A	0.958
988.6	10.11	0.7264	?A	0.958
988.5	10.12	5.032	?A	0.958
987.8	10.12	0.0059	?A	0.958
985.2	10.15	0.2429	?A	0.958
983.1	10.17	19.85	?A	0.958
982.1	10.18	0.1374	?A	0.958
981.3	10.19	1.599	?A	0.958
978.3	10.22	2.575	?A	0.958
977.9	10.23	1.597	?A	0.958
971.7	10.29	5.478	?A	0.958
941.1	10.63	41.74	?A	0.958
917.4	10.9	154.4	?A	0.958
913.3	10.95	11.58	?A	0.958
911.8	10.97	1.433	?A	0.958
907.1	11.02	29.83	?A	0.958
900.1	11.11	1.115	?A	0.958
896.6	11.15	0.7564	?A	0.958
882.9	11.33	1.141	?A	0.958
857	11.67	1.126	?A	0.958
838.7	11.92	0.1254	?A	0.958
832.6	12.01	15.84	?A	0.958
826.9	12.09	0.676	?A	0.958
823.3	12.15	10.34	?A	0.958
816.9	12.24	1.952	?A	0.958
815.5	12.26	1.35	?A	0.958
813.9	12.29	2.495	?A	0.958
809.8	12.35	0.5482	?A	0.958
806.5	12.4	2.812	?A	0.958
794.7	12.58	0.3327	?A	0.958
791.2	12.64	51.77	?A	0.958
776.3	12.88	0.7197	?A	0.958
775	12.9	1.504	?A	0.958
770.6	12.98	0.0384	?A	0.958
768.3	13.02	1.647	?A	0.958
765.9	13.06	0.1195	?A	0.958
764.6	13.08	1.252	?A	0.958
754.3	13.26	0.2146	?A	0.958
752.9	13.28	0.0572	?A	0.958
743	13.46	3.208	?A	0.958
737.3	13.56	1.94	?A	0.958
722	13.85	1.297	?A	0.958
716.9	13.95	21.58	?A	0.958
705.9	14.17	0.5207	?A	0.958
701.3	14.26	0.1991	?A	0.958
699.3	14.3	0.0298	?A	0.958
693.5	14.42	0.2055	?A	0.958
688.5	14.52	0.3204	?A	0.958
657.2	15.22	0.5688	?A	0.958
653.6	15.3	0.2818	?A	0.958
651.3	15.35	0.5811	?A	0.958
639	15.65	0.0732	?A	0.958
632.8	15.8	0.0336	?A	0.958
631.2	15.84	0.0679	?A	0.958
623.4	16.04	0.1213	?A	0.958
617.2	16.2	0.0796	?A	0.958
615.4	16.25	0.1605	?A	0.958
612.5	16.33	0.0162	?A	0.958
610.7	16.38	0.0027	?A	0.958
603.8	16.56	3.845	?A	0.958
600.9	16.64	0.6718	?A	0.958
579.2	17.27	0.1071	?A	0.958
575.4	17.38	3.649	?A	0.958
574.2	17.42	1.084	?A	0.958
573.7	17.43	0.5641	?A	0.958
563.3	17.75	6.463	?A	0.958
561.8	17.8	11.96	?A	0.958
556.9	17.96	7.236	?A	0.958
553.1	18.08	0.1343	?A	0.958
538.6	18.57	0.4746	?A	0.958
533.9	18.73	0.0481	?A	0.958
533.6	18.74	0.0096	?A	0.958
524.3	19.07	0.0424	?A	0.958
507.5	19.7	3.38	?A	0.958
494.8	20.21	1.19	?A	0.958
493	20.28	0.4601	?A	0.958
481.2	20.78	1.565	?A	0.958
479.6	20.85	0.9102	?A	0.958
475.1	21.05	1.056	?A	0.958
449.7	22.24	0.0332	?A	0.958
447.3	22.36	0.0646	?A	0.958
440	22.73	0.0223	?A	0.958
405.5	24.66	0.2158	?A	0.958
388.9	25.72	0.2969	?A	0.958
387.6	25.8	0.1124	?A	0.958
382.7	26.13	0.0037	?A	0.958
379	26.39	0.0015	?A	0.958
377.4	26.5	0.9548	?A	0.958
372.1	26.87	0.0109	?A	0.958
368.1	27.17	0.0465	?A	0.958
344.5	29.03	0.1667	?A	0.958
343.8	29.09	0.6344	?A	0.958
343.6	29.11	1.171	?A	0.958
330.1	30.3	0.9013	?A	0.958
313.4	31.91	0.0398	?A	0.958
305.8	32.71	0.1089	?A	0.958
299.7	33.37	0.0004	?A	0.958
284	35.21	0.0043	?A	0.958
265.2	37.71	0.5696	?A	0.958
247.3	40.44	6.013	?A	0.958
247	40.49	2.362	?A	0.958
244.4	40.91	0.1736	?A	0.958
228.5	43.76	1.239	?A	0.958
226.8	44.09	4.274	?A	0.958
224.5	44.55	0.1427	?A	0.958
213	46.95	3.504	?A	0.958
208.9	47.87	0.0466	?A	0.958
158	63.3	0.0269	?A	0.958
139.4	71.72	0.0577	?A	0.958
133.4	74.95	0.127	?A	0.958
126.8	78.84	0.0083	?A	0.958
115.5	86.54	0.0718	?A	0.958
93.07	107.4	0.0793	?A	0.958
72.91	137.2	0.0003	?A	0.958
53.46	187	4.186	?A	0.958
43.41	230.4	1.006	?A	0.958
38.8	257.7	0.0686	?A	0.958
15.59	641.5	0.0921	?A	0.958

Vibrations

Note(s):

Methylcircumcoronene cation "center" sitemccor2a+

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