NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3084	3.243	0	A_G	0.958
3084	3.243	92.18	B_1U	0.958
3083	3.243	42.03	B_2U	0.958
3083	3.243	0	B_3G	0.958
3081	3.245	0	A_G	0.958
3081	3.245	51.53	B_2U	0.958
3070	3.258	0	A_G	0.958
3070	3.258	7.734	B_1U	0.958
3066	3.261	0	B_3G	0.958
3066	3.262	5.681	B_1U	0.958
3066	3.262	10.87	B_2U	0.958
3065	3.262	0	A_G	0.958
3064	3.264	0	B_3G	0.958
3064	3.264	0.0446	B_1U	0.958
3063	3.265	12.03	B_2U	0.958
3063	3.265	0	A_G	0.958
3061	3.266	0	B_3G	0.958
3061	3.266	0.7735	B_1U	0.958
1623	6.161	0	A_G	0.958
1619	6.175	158.4	B_2U	0.958
1612	6.202	35.22	B_1U	0.958
1605	6.232	0	A_G	0.958
1604	6.234	0	B_3G	0.958
1598	6.26	3.055	B_2U	0.958
1592	6.281	5.603	B_1U	0.958
1589	6.295	0	B_3G	0.958
1578	6.336	0	A_G	0.958
1572	6.361	0	B_3G	0.958
1568	6.379	0.2248	B_2U	0.958
1553	6.437	0	A_G	0.958
1553	6.44	3.239	B_1U	0.958
1525	6.557	4.406	B_2U	0.958
1522	6.57	14.01	B_2U	0.958
1521	6.573	0	B_3G	0.958
1490	6.712	0.0123	B_1U	0.958
1483	6.742	65.85	B_1U	0.958
1477	6.77	0	A_G	0.958
1476	6.776	0	B_3G	0.958
1466	6.822	0.2446	B_1U	0.958
1466	6.823	0	A_G	0.958
1455	6.872	0.2256	B_2U	0.958
1454	6.879	0	B_3G	0.958
1444	6.927	1.491	B_1U	0.958
1437	6.959	0	B_3G	0.958
1434	6.975	0	A_G	0.958
1426	7.015	0.3187	B_2U	0.958
1418	7.052	0	B_3G	0.958
1415	7.068	13.94	B_1U	0.958
1411	7.088	0	A_G	0.958
1407	7.106	0.6287	B_2U	0.958
1403	7.13	0	B_3G	0.958
1402	7.133	0	A_G	0.958
1396	7.165	8.484	B_1U	0.958
1392	7.185	2.037	B_2U	0.958
1386	7.215	0	B_3G	0.958
1379	7.252	0	A_G	0.958
1370	7.297	5.767	B_1U	0.958
1367	7.314	12.8	B_2U	0.958
1362	7.342	13.12	B_2U	0.958
1350	7.406	0	A_G	0.958
1346	7.427	0	B_3G	0.958
1344	7.438	27.78	B_2U	0.958
1335	7.489	0.848	B_1U	0.958
1326	7.539	0	B_3G	0.958
1321	7.572	0	A_G	0.958
1311	7.628	3.558	B_2U	0.958
1293	7.737	22.29	B_1U	0.958
1290	7.749	0	A_G	0.958
1284	7.786	10.47	B_1U	0.958
1284	7.786	0	A_G	0.958
1280	7.81	0	B_3G	0.958
1280	7.813	14.36	B_2U	0.958
1275	7.841	0	A_G	0.958
1266	7.897	0	B_3G	0.958
1261	7.93	0.0309	B_2U	0.958
1249	8.006	20.81	B_2U	0.958
1248	8.016	0.1304	B_1U	0.958
1236	8.092	2.268	B_1U	0.958
1220	8.198	0	B_3G	0.958
1202	8.322	0	A_G	0.958
1194	8.374	0	A_G	0.958
1194	8.374	0.8113	B_2U	0.958
1190	8.407	0	B_3G	0.958
1188	8.42	10.83	B_1U	0.958
1174	8.521	16.63	B_1U	0.958
1172	8.531	13.41	B_2U	0.958
1169	8.554	0.316	B_2U	0.958
1146	8.728	0	B_3G	0.958
1140	8.771	0	A_G	0.958
1119	8.939	0	A_G	0.958
1095	9.13	0	B_3G	0.958
1093	9.153	0	A_G	0.958
1093	9.153	0.0672	B_2U	0.958
1086	9.208	0	B_3G	0.958
1024	9.769	4.023	B_2U	0.958
1017	9.834	0.1155	B_1U	0.958
1002	9.981	0.2917	B_1U	0.958
991.4	10.09	0	B_2G	0.958
989.8	10.1	0	A_U	0.958
989.7	10.1	0.0029	B_3U	0.958
986.6	10.14	0	B_2G	0.958
986.5	10.14	0	B_1G	0.958
984.7	10.15	0	A_U	0.958
980.6	10.2	0	B_3G	0.958
980	10.2	0	A_G	0.958
972.6	10.28	1.617	B_1U	0.958
970.2	10.31	2.244	B_2U	0.958
919.3	10.88	224.6	B_3U	0.958
915.6	10.92	0	B_1G	0.958
912.5	10.96	0	B_2G	0.958
904	11.06	0	A_U	0.958
902.5	11.08	4.522	B_3U	0.958
898.6	11.13	0	B_2G	0.958
887.9	11.26	0.0544	B_1U	0.958
870.5	11.49	0	B_2G	0.958
865	11.56	0	B_3G	0.958
843.2	11.86	0	B_3G	0.958
842.1	11.87	6.795	B_2U	0.958
841	11.89	3.482	B_1U	0.958
835.8	11.96	0	A_G	0.958
834	11.99	1.02	B_3U	0.958
828.4	12.07	0	B_1G	0.958
820	12.19	0	A_U	0.958
816.5	12.25	0.1285	B_3U	0.958
813.4	12.29	0.041	B_2U	0.958
810.3	12.34	0	A_U	0.958
805.4	12.42	0	A_G	0.958
800.2	12.5	0	B_2G	0.958
799.6	12.51	0	B_1G	0.958
791.7	12.63	0	B_2G	0.958
790.7	12.65	0	B_1G	0.958
789.6	12.66	52.47	B_3U	0.958
775.1	12.9	0	B_2G	0.958
764.1	13.09	0	A_U	0.958
758.1	13.19	0	B_3G	0.958
747	13.39	0	A_G	0.958
744.4	13.43	0	B_3G	0.958
734.3	13.62	20.87	B_3U	0.958
729.9	13.7	0	A_U	0.958
722.1	13.85	0.0654	B_1U	0.958
703.2	14.22	1.749	B_3U	0.958
700.2	14.28	0	B_1G	0.958
698.8	14.31	0	B_2G	0.958
662.7	15.09	0	B_3G	0.958
653	15.32	1.65	B_2U	0.958
651	15.36	5.404	B_1U	0.958
650.7	15.37	0	A_G	0.958
627.6	15.93	0	A_G	0.958
626.3	15.97	0.1323	B_2U	0.958
624.6	16.01	0.0928	B_1U	0.958
619.2	16.15	0	B_2G	0.958
615.6	16.24	0	A_U	0.958
612.2	16.34	0.0123	B_3U	0.958
610.8	16.37	0	B_1G	0.958
607	16.47	0	B_2G	0.958
600.6	16.65	0	B_3G	0.958
597.2	16.74	0	A_G	0.958
577.4	17.32	25.57	B_3U	0.958
576.3	17.35	0	B_1G	0.958
574.5	17.41	0	A_U	0.958
566.6	17.65	0	A_U	0.958
553.9	18.06	1.81	B_1U	0.958
550.8	18.15	0.1155	B_2U	0.958
541.3	18.48	13.9	B_3U	0.958
538	18.59	0.0154	B_2U	0.958
532.6	18.78	0	B_3G	0.958
529.8	18.88	0	B_1G	0.958
527.3	18.97	0	B_2G	0.958
501.6	19.94	7.199	B_1U	0.958
500.6	19.98	2.936	B_2U	0.958
493.6	20.26	0	B_3G	0.958
484.2	20.65	0.0229	B_1U	0.958
466.7	21.43	0	A_G	0.958
464.7	21.52	0	B_3G	0.958
458.2	21.83	0	B_2G	0.958
439	22.78	0.5309	B_3U	0.958
437.6	22.85	0	A_U	0.958
384.6	26	0.1739	B_3U	0.958
384.3	26.02	0.0144	B_1U	0.958
381.7	26.2	0	A_U	0.958
379.1	26.38	0	B_1G	0.958
373.5	26.77	0	B_2G	0.958
373.5	26.77	0	B_3G	0.958
373.3	26.78	0	A_G	0.958
359.8	27.79	0	B_2G	0.958
342.8	29.17	0	B_1G	0.958
342.2	29.22	0.2412	B_2U	0.958
337.1	29.66	0	B_2G	0.958
319.3	31.32	0	A_G	0.958
296.3	33.75	0	A_U	0.958
289.8	34.51	0.8917	B_3U	0.958
279	35.84	0	B_1G	0.958
266.5	37.53	1.988	B_2U	0.958
265.8	37.62	4.173	B_1U	0.958
251.7	39.73	0	B_3G	0.958
249.9	40.02	0	A_G	0.958
234.6	42.62	5.188	B_3U	0.958
231.1	43.27	0	A_U	0.958
222.7	44.91	1.386	B_3U	0.958
209.8	47.67	0	B_2G	0.958
208	48.07	0	B_1G	0.958
138.5	72.19	0	A_U	0.958
136.7	73.18	0.0027	B_3U	0.958
134.3	74.48	0	B_2G	0.958
133.2	75.06	0	B_1G	0.958
93.4	107.1	0	B_2G	0.958
70.97	140.9	0	B_1G	0.958
62.71	159.5	3.289	B_3U	0.958
34.51	289.7	0	A_U	0.958
33.03	302.7	0.0029	B_3U	0.958

Vibrations

Note(s):

Circumcoronene cation with Ns at 19 and 20 N1920

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