NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3094	3.232	0	A_G	0.958
3094	3.232	18.93	B_1U	0.958
3094	3.232	8.93	B_2U	0.958
3094	3.232	0	B_3G	0.958
3092	3.234	0	A_G	0.958
3092	3.234	12.64	B_2U	0.958
3079	3.247	0	A_G	0.958
3079	3.248	0.024	B_1U	0.958
3078	3.249	0	B_3G	0.958
3078	3.249	0.0094	B_2U	0.958
3077	3.25	1.237	B_1U	0.958
3077	3.25	0	A_G	0.958
3076	3.25	0	B_3G	0.958
3076	3.251	0.7629	B_1U	0.958
3074	3.253	2.484	B_2U	0.958
3074	3.253	0	A_G	0.958
3073	3.254	0	B_3G	0.958
3073	3.254	1.091	B_1U	0.958
1622	6.167	0	A_G	0.958
1614	6.195	307.6	B_2U	0.958
1613	6.198	161.7	B_1U	0.958
1599	6.253	0	B_3G	0.958
1598	6.257	0	A_G	0.958
1594	6.275	4.574	B_2U	0.958
1591	6.284	0	B_3G	0.958
1587	6.3	6.852	B_1U	0.958
1571	6.364	0	A_G	0.958
1568	6.377	0	B_3G	0.958
1562	6.404	17.12	B_2U	0.958
1547	6.465	13.34	B_1U	0.958
1544	6.477	0	A_G	0.958
1527	6.55	0	B_3G	0.958
1512	6.616	9.52	B_2U	0.958
1500	6.665	184.7	B_2U	0.958
1493	6.7	83.43	B_1U	0.958
1489	6.718	45.68	B_1U	0.958
1476	6.773	0	B_3G	0.958
1475	6.781	0	A_G	0.958
1469	6.805	0	A_G	0.958
1468	6.812	28.44	B_1U	0.958
1452	6.888	0.9416	B_2U	0.958
1451	6.89	0	B_3G	0.958
1447	6.912	0.8803	B_1U	0.958
1440	6.943	0	B_3G	0.958
1435	6.971	0	A_G	0.958
1426	7.012	2.142	B_2U	0.958
1421	7.037	0	B_3G	0.958
1420	7.04	14.2	B_1U	0.958
1411	7.088	1.465	B_2U	0.958
1409	7.097	0	A_G	0.958
1402	7.134	0	B_3G	0.958
1397	7.156	0	A_G	0.958
1394	7.172	40.07	B_1U	0.958
1394	7.172	140	B_2U	0.958
1389	7.197	0	B_3G	0.958
1383	7.23	0	A_G	0.958
1370	7.299	17.61	B_2U	0.958
1369	7.307	4.559	B_1U	0.958
1362	7.343	0.0904	B_2U	0.958
1357	7.367	0	B_3G	0.958
1356	7.374	0	A_G	0.958
1335	7.492	3.244	B_1U	0.958
1334	7.497	0	B_3G	0.958
1329	7.523	219.1	B_2U	0.958
1326	7.544	0	A_G	0.958
1310	7.635	0	B_3G	0.958
1305	7.66	152.6	B_2U	0.958
1294	7.73	0	A_G	0.958
1292	7.743	22.78	B_1U	0.958
1285	7.784	108.7	B_2U	0.958
1283	7.795	0	A_G	0.958
1279	7.819	0	B_3G	0.958
1278	7.822	34.95	B_1U	0.958
1275	7.842	0	A_G	0.958
1269	7.879	9.303	B_2U	0.958
1256	7.963	109.9	B_1U	0.958
1245	8.034	66.76	B_2U	0.958
1237	8.081	27.01	B_1U	0.958
1224	8.169	0	B_3G	0.958
1205	8.296	0	A_G	0.958
1199	8.341	0	A_G	0.958
1198	8.345	0	B_3G	0.958
1198	8.347	0.0209	B_2U	0.958
1197	8.357	0.801	B_1U	0.958
1177	8.495	14.08	B_2U	0.958
1175	8.511	44.72	B_1U	0.958
1168	8.562	144.3	B_2U	0.958
1152	8.683	0	B_3G	0.958
1143	8.746	0	A_G	0.958
1123	8.907	0	A_G	0.958
1105	9.048	0	B_3G	0.958
1097	9.119	0	B_3G	0.958
1096	9.128	0	A_G	0.958
1095	9.134	16.06	B_2U	0.958
1024	9.766	0.5606	B_2U	0.958
1022	9.788	0.5211	B_1U	0.958
1003	9.974	0	B_2G	0.958
1001	9.991	0	A_U	0.958
1001	9.992	0.0567	B_3U	0.958
1001	9.993	0.0017	B_1U	0.958
997.5	10.02	0	B_2G	0.958
997	10.03	0	B_1G	0.958
995.1	10.05	0	A_U	0.958
981.8	10.19	0	B_3G	0.958
980.1	10.2	0	A_G	0.958
978.6	10.22	9.97	B_1U	0.958
974.5	10.26	18.92	B_2U	0.958
940	10.64	217.5	B_3U	0.958
936	10.68	0	B_2G	0.958
933.3	10.71	0	B_1G	0.958
925.1	10.81	3.6	B_3U	0.958
921.6	10.85	0	A_U	0.958
917.6	10.9	0	B_2G	0.958
891.5	11.22	0	B_2G	0.958
889.7	11.24	0.1391	B_1U	0.958
867	11.53	0	B_3G	0.958
843.7	11.85	0	B_3G	0.958
842.5	11.87	5.166	B_2U	0.958
841.5	11.88	1.375	B_3U	0.958
840.9	11.89	10.53	B_1U	0.958
836.8	11.95	0	B_1G	0.958
836.2	11.96	0	A_G	0.958
827.5	12.08	0.1087	B_3U	0.958
827.3	12.09	0	A_U	0.958
816.1	12.25	0	A_U	0.958
816	12.25	0.6189	B_2U	0.958
809.3	12.36	0	B_2G	0.958
808.9	12.36	0	B_1G	0.958
806.2	12.4	0	A_G	0.958
799.2	12.51	72.07	B_3U	0.958
796.8	12.55	0	B_2G	0.958
789.6	12.66	0	B_1G	0.958
782.8	12.77	0	B_2G	0.958
764.8	13.07	0	A_U	0.958
762.2	13.12	0	B_3G	0.958
748.4	13.36	0	A_G	0.958
746.7	13.39	0	B_3G	0.958
742	13.48	0	A_U	0.958
738.9	13.53	3.351	B_3U	0.958
733.1	13.64	22.71	B_3U	0.958
721.3	13.86	0.115	B_1U	0.958
705.4	14.18	0	B_2G	0.958
701.4	14.26	0	B_1G	0.958
663.5	15.07	0	B_3G	0.958
653.7	15.3	2.897	B_2U	0.958
653.5	15.3	0.8365	B_1U	0.958
653.4	15.3	0	A_G	0.958
627.8	15.93	0	A_G	0.958
626.1	15.97	1.153	B_2U	0.958
624.7	16.01	0.0364	B_1U	0.958
620.5	16.12	0	B_2G	0.958
620.2	16.12	0.0354	B_3U	0.958
617.8	16.19	0	A_U	0.958
610.6	16.38	0	B_2G	0.958
610.6	16.38	0	B_1G	0.958
600.8	16.64	0	B_3G	0.958
598.4	16.71	0	A_G	0.958
577.8	17.31	0	B_1G	0.958
572.7	17.46	0	A_U	0.958
571.2	17.51	15.35	B_3U	0.958
561.8	17.8	0	A_U	0.958
558.4	17.91	23.87	B_3U	0.958
552.7	18.09	1.933	B_2U	0.958
552.5	18.1	3.368	B_1U	0.958
537.6	18.6	1.917	B_2U	0.958
535.5	18.67	0	B_3G	0.958
532	18.8	0	B_2G	0.958
530.2	18.86	0	B_1G	0.958
500.9	19.97	7.399	B_1U	0.958
499.9	20	9.434	B_2U	0.958
493.1	20.28	0	B_3G	0.958
483.5	20.68	0.4244	B_1U	0.958
466.2	21.45	0	B_3G	0.958
465.9	21.46	0	A_G	0.958
453.7	22.04	0	B_2G	0.958
440.3	22.71	0.093	B_3U	0.958
434.4	23.02	0	A_U	0.958
390.2	25.63	0	B_2G	0.958
389.3	25.69	0	B_1G	0.958
386.6	25.87	0.0102	B_3U	0.958
382.8	26.12	1.361	B_1U	0.958
377.5	26.49	0	A_U	0.958
373.8	26.75	0	A_G	0.958
373.5	26.77	0	B_3G	0.958
361.9	27.63	0	B_2G	0.958
340.2	29.39	0	B_2G	0.958
340.2	29.4	0	B_1G	0.958
336.5	29.71	11.98	B_2U	0.958
319.8	31.26	0	A_G	0.958
292.2	34.22	0	A_U	0.958
290.4	34.44	4.099	B_3U	0.958
280.8	35.62	0	B_1G	0.958
266.4	37.53	1.744	B_1U	0.958
266.3	37.55	1.663	B_2U	0.958
252	39.68	0	B_3G	0.958
251.2	39.81	0	A_G	0.958
236.6	42.27	7.417	B_3U	0.958
230	43.49	0	A_U	0.958
229.1	43.65	0.4561	B_3U	0.958
208.6	47.94	0	B_2G	0.958
207.5	48.2	0	B_1G	0.958
136.1	73.47	0	B_2G	0.958
136	73.51	0.0038	B_3U	0.958
135.9	73.6	0	A_U	0.958
133.6	74.85	0	B_1G	0.958
92.93	107.6	0	B_2G	0.958
69.13	144.7	0	B_1G	0.958
65.32	153.1	4.696	B_3U	0.958
33.2	301.2	0.0124	B_3U	0.958
33.17	301.5	0	A_U	0.958

Vibrations

Note(s):

Circumcoronene dication 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