NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3093	3.233	0	A_G	0.958
3093	3.233	0.2853	B_2U	0.958
3093	3.234	95.01	B_1U	0.958
3093	3.234	0	B_3G	0.958
3058	3.27	0	A_G	0.958
3058	3.271	56.74	B_2U	0.958
3056	3.272	5.696	B_1U	0.958
3056	3.272	0	B_3G	0.958
3053	3.276	0	A_G	0.958
3052	3.276	369.8	B_2U	0.958
3051	3.278	234.2	B_1U	0.958
3050	3.278	0	B_3G	0.958
3047	3.282	0	A_G	0.958
3047	3.282	67.53	B_2U	0.958
3031	3.299	20.78	B_1U	0.958
3031	3.299	0	B_3G	0.958
3031	3.3	0	A_G	0.958
3031	3.3	2.854	B_2U	0.958
3024	3.307	15.47	B_1U	0.958
3024	3.307	0	B_3G	0.958
3022	3.309	0	A_G	0.958
3019	3.312	33.1	B_1U	0.958
1612	6.205	0	A_G	0.958
1611	6.206	37.14	B_2U	0.958
1580	6.329	16.91	B_1U	0.958
1579	6.331	0	B_3G	0.958
1569	6.374	0.0726	B_1U	0.958
1565	6.39	0.7373	B_2U	0.958
1565	6.391	0	A_G	0.958
1559	6.416	0	B_3G	0.958
1528	6.545	0	B_3G	0.958
1522	6.57	220.9	B_1U	0.958
1520	6.58	0	A_G	0.958
1515	6.602	550.6	B_2U	0.958
1507	6.635	0	A_G	0.958
1496	6.686	0	B_3G	0.958
1493	6.699	38.23	B_1U	0.958
1483	6.745	191.5	B_2U	0.958
1452	6.887	0.0194	B_2U	0.958
1452	6.888	0	A_G	0.958
1452	6.888	0	B_3G	0.958
1438	6.953	29.03	B_1U	0.958
1433	6.977	299.7	B_2U	0.958
1432	6.981	0	A_G	0.958
1427	7.008	0.7492	B_1U	0.958
1425	7.02	0	B_3G	0.958
1409	7.096	0	B_3G	0.958
1391	7.188	351.5	B_2U	0.958
1387	7.208	0	A_G	0.958
1369	7.302	783	B_2U	0.958
1368	7.309	3.122	B_1U	0.958
1347	7.425	0	B_3G	0.958
1345	7.435	0	A_G	0.958
1338	7.475	1336	B_2U	0.958
1332	7.506	1.044	B_1U	0.958
1326	7.543	0	A_G	0.958
1321	7.567	58.26	B_2U	0.958
1309	7.639	0	A_G	0.958
1303	7.672	66.97	B_1U	0.958
1294	7.727	0	B_3G	0.958
1287	7.771	487.3	B_2U	0.958
1282	7.801	0	B_3G	0.958
1278	7.822	0.0876	B_1U	0.958
1276	7.839	0	A_G	0.958
1260	7.937	723.4	B_2U	0.958
1257	7.957	0	A_G	0.958
1254	7.973	0	B_3G	0.958
1238	8.079	0.1316	B_1U	0.958
1226	8.156	16.48	B_1U	0.958
1214	8.237	176.4	B_2U	0.958
1213	8.241	0	A_G	0.958
1212	8.254	62.78	B_2U	0.958
1206	8.291	0	B_3G	0.958
1202	8.317	0	B_3G	0.958
1185	8.441	0	A_G	0.958
1183	8.453	0.8159	B_1U	0.958
1183	8.453	217.9	B_2U	0.958
1174	8.517	0	B_3G	0.958
1158	8.636	1.265	B_2U	0.958
1158	8.636	0	A_G	0.958
1105	9.049	0	B_3G	0.958
1104	9.059	25.33	B_1U	0.958
1082	9.24	0	A_G	0.958
1081	9.25	36.78	B_2U	0.958
1081	9.254	0	B_3G	0.958
1069	9.35	0.0009	B_1U	0.958
1058	9.447	0	A_G	0.958
1055	9.481	4.59	B_2U	0.958
991.3	10.09	27.63	B_1U	0.958
989.6	10.11	0	B_3G	0.958
962.3	10.39	0	B_2G	0.958
962.3	10.39	0	A_U	0.958
951.6	10.51	4.508	B_3U	0.958
951.5	10.51	0	B_1G	0.958
949.3	10.53	0	B_2G	0.958
949.3	10.53	0	A_U	0.958
910.2	10.99	3.955	B_2U	0.958
906.8	11.03	3.047	B_1U	0.958
902.3	11.08	0	B_3G	0.958
886.3	11.28	0	A_G	0.958
876.8	11.4	0.2185	B_3U	0.958
876.2	11.41	0	B_1G	0.958
870.1	11.49	0	B_2G	0.958
867.7	11.53	0	A_U	0.958
860.5	11.62	0	B_2G	0.958
846.7	11.81	156	B_3U	0.958
840	11.9	0	A_U	0.958
830.8	12.04	18.4	B_2U	0.958
822.9	12.15	0	B_1G	0.958
821.3	12.18	113.4	B_3U	0.958
816.2	12.25	0	B_1G	0.958
813.1	12.3	0	B_2G	0.958
806.8	12.39	0	A_U	0.958
797.4	12.54	0.5823	B_1U	0.958
793.8	12.6	0	A_G	0.958
786.2	12.72	0	B_2G	0.958
769	13	0.2128	B_3U	0.958
764.4	13.08	0.0467	B_2U	0.958
752.4	13.29	0	B_2G	0.958
752.4	13.29	0	A_U	0.958
750.7	13.32	0	B_1G	0.958
749.5	13.34	0	A_G	0.958
749.3	13.35	34.04	B_3U	0.958
739	13.53	0	B_3G	0.958
724.8	13.8	0	B_2G	0.958
721.3	13.86	1.184	B_1U	0.958
700.6	14.27	0	B_1G	0.958
699.4	14.3	0	A_U	0.958
698.6	14.31	43.96	B_3U	0.958
697	14.35	0	B_3G	0.958
694.4	14.4	0	B_2G	0.958
686	14.58	0	A_U	0.958
653.7	15.3	0.0024	B_1U	0.958
650.2	15.38	29.74	B_2U	0.958
642.9	15.55	0	A_G	0.958
610	16.39	0	B_2G	0.958
602.9	16.59	0	B_3G	0.958
600.5	16.65	0	A_U	0.958
574.3	17.41	0	B_1G	0.958
571.3	17.5	1.244	B_3U	0.958
569.5	17.56	0.1226	B_1U	0.958
567.4	17.63	0	B_3G	0.958
563.3	17.75	0	B_2G	0.958
563.1	17.76	0	A_U	0.958
561.2	17.82	0	A_G	0.958
555.5	18	12.89	B_2U	0.958
552.1	18.11	0	A_G	0.958
506.6	19.74	0	B_3G	0.958
505.7	19.77	5.486	B_1U	0.958
488.6	20.47	0	B_1G	0.958
488.4	20.48	1.538	B_3U	0.958
455.5	21.96	0	B_3G	0.958
443.6	22.54	0	B_2G	0.958
442.3	22.61	0.5198	B_1U	0.958
441.8	22.63	22.8	B_2U	0.958
441.2	22.66	3.215	B_3U	0.958
436.4	22.92	0	A_U	0.958
435.7	22.95	0	B_1G	0.958
413.3	24.2	0	A_G	0.958
401.4	24.91	0.0026	B_3U	0.958
388.4	25.75	0	B_1G	0.958
375.1	26.66	13.18	B_2U	0.958
371.7	26.9	0	A_G	0.958
359	27.86	0	B_3G	0.958
323.9	30.87	0	B_2G	0.958
320.1	31.24	3.391	B_2U	0.958
298	33.56	0	A_U	0.958
269.3	37.13	0	B_2G	0.958
262.6	38.08	1.73	B_3U	0.958
252.1	39.67	0.5259	B_1U	0.958
219	45.67	0	B_1G	0.958
218.3	45.81	3.561	B_3U	0.958
195	51.27	0	B_1G	0.958
178.4	56.04	0	A_U	0.958
153.6	65.13	0	B_2G	0.958
147.5	67.8	0	A_G	0.958
142.7	70.07	0	A_U	0.958
136.8	73.12	1.158	B_3U	0.958
129.6	77.16	0	B_3G	0.958
90.6	110.4	0	B_1G	0.958
60.14	166.3	0	B_2G	0.958
57.48	174	0.5642	B_3U	0.958
54.53	183.4	0.7138	B_1U	0.958
40.68	245.8	0	B_1G	0.958
20.61	485.2	0.278	B_3U	0.958
15.51	644.7	0	A_U	0.958

Vibrations

Note(s):

1,18;4,5;9,10;13,14-tetrabenzopyrene anion

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