NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3082	3.244	17.45	A₁	0.958
3082	3.244	76.29	B₂	0.958
3080	3.246	15.21	A₁	0.958
3080	3.246	11.32	B₂	0.958
3080	3.247	41.33	A₁	0.958
3079	3.247	10.25	B₂	0.958
3064	3.263	0.0468	A₁	0.958
3064	3.263	0.0012	B₂	0.958
3063	3.264	2.737	A₁	0.958
3063	3.264	1.587	B₂	0.958
3063	3.265	4.69	A₁	0.958
3062	3.266	1.272	B₂	0.958
3060	3.268	6.059	A₁	0.958
3060	3.268	6.887	A₁	0.958
3058	3.27	5.69	B₂	0.958
3058	3.27	1.864	A₁	0.958
3057	3.271	0.3544	B₂	0.958
1607	6.225	9.118	A₁	0.958
1602	6.242	28.36	A₁	0.958
1597	6.262	6.414	B₂	0.958
1589	6.295	562.1	B₂	0.958
1586	6.306	3.115	B₂	0.958
1583	6.317	109.4	B₂	0.958
1580	6.33	235.8	A₁	0.958
1569	6.372	0.0106	A₁	0.958
1561	6.406	16.23	A₁	0.958
1557	6.424	31.66	B₂	0.958
1547	6.463	3.51	A₁	0.958
1532	6.526	172.7	B₂	0.958
1509	6.626	24.29	A₁	0.958
1501	6.664	0.6028	B₂	0.958
1490	6.712	0.5452	A₁	0.958
1487	6.723	0.3257	B₂	0.958
1483	6.744	59.24	A₁	0.958
1473	6.787	2.501	A₁	0.958
1468	6.812	8.075	B₂	0.958
1457	6.864	36.94	B₂	0.958
1453	6.883	43.81	A₁	0.958
1447	6.912	19.03	B₂	0.958
1442	6.935	2.164	A₁	0.958
1429	6.997	1.155	A₁	0.958
1426	7.01	12.3	B₂	0.958
1425	7.019	2.193	B₂	0.958
1414	7.073	1.232	B₂	0.958
1409	7.098	5.528	A₁	0.958
1406	7.111	3.467	A₁	0.958
1403	7.126	2.831	B₂	0.958
1397	7.16	3.692	A₁	0.958
1391	7.187	5.278	B₂	0.958
1385	7.219	1.19	B₂	0.958
1381	7.241	12.31	A₁	0.958
1375	7.273	0.7845	A₁	0.958
1371	7.294	0.2533	B₂	0.958
1367	7.317	0.158	B₂	0.958
1360	7.354	3.437	A₁	0.958
1352	7.399	51.44	B₂	0.958
1342	7.452	1.088	A₁	0.958
1332	7.51	258	B₂	0.958
1331	7.512	172.9	A₁	0.958
1320	7.574	5.773	A₁	0.958
1317	7.592	178.9	B₂	0.958
1305	7.662	0.0701	B₂	0.958
1287	7.773	2.559	A₁	0.958
1275	7.845	60.23	A₁	0.958
1271	7.87	10.91	B₂	0.958
1261	7.93	47.61	B₂	0.958
1250	7.999	3.453	A₁	0.958
1231	8.123	22.58	A₁	0.958
1231	8.124	17.96	B₂	0.958
1224	8.168	5.352	A₁	0.958
1217	8.215	16.95	B₂	0.958
1207	8.282	0.0538	A₁	0.958
1192	8.39	127.9	B₂	0.958
1190	8.402	141	A₁	0.958
1189	8.414	143.4	B₂	0.958
1178	8.49	9.6	A₁	0.958
1176	8.506	2.044	B₂	0.958
1167	8.567	11.09	B₂	0.958
1159	8.632	3.087	A₁	0.958
1145	8.73	0.0716	B₂	0.958
1119	8.934	21.22	A₁	0.958
1106	9.044	2.018	B₂	0.958
1095	9.131	3.832	A₁	0.958
1089	9.183	4.379	B₂	0.958
1060	9.436	0.8501	A₁	0.958
1031	9.7	1.017	B₂	0.958
994	10.06	0.0526	B₁	0.958
993.3	10.07	0	A₂	0.958
993.1	10.07	2.038	A₁	0.958
989.2	10.11	0.0452	B₁	0.958
986.2	10.14	0	A₂	0.958
980.5	10.2	11.62	B₂	0.958
980.3	10.2	0.0069	B₁	0.958
979.4	10.21	0	A₂	0.958
961.1	10.4	0.6002	A₁	0.958
937.1	10.67	66.09	B₁	0.958
920	10.87	101.1	B₁	0.958
918.2	10.89	0.596	A₁	0.958
916.3	10.91	0	A₂	0.958
904.9	11.05	0.3845	B₂	0.958
902.6	11.08	0.5059	B₁	0.958
892	11.21	0	A₂	0.958
885.3	11.3	0.8836	A₁	0.958
855.2	11.69	0.2618	B₂	0.958
849.9	11.77	61.46	B₁	0.958
846.7	11.81	0	A₂	0.958
841.9	11.88	0.5592	B₂	0.958
840.1	11.9	5.955	A₁	0.958
818.8	12.21	0	A₂	0.958
803.9	12.44	18.63	B₁	0.958
792.1	12.62	0	A₂	0.958
790.8	12.64	8.794	B₁	0.958
781.2	12.8	0.5366	A₁	0.958
780.4	12.81	0.3958	B₁	0.958
776.2	12.88	0	A₂	0.958
775.9	12.89	2.443	B₂	0.958
775.3	12.9	0.1619	B₁	0.958
766.8	13.04	0	A₂	0.958
760.9	13.14	8.042	B₂	0.958
752.4	13.29	0.4117	B₁	0.958
747.3	13.38	0.9174	A₁	0.958
724.3	13.81	5.922	B₁	0.958
722.8	13.84	0	A₂	0.958
718.6	13.91	2.788	B₂	0.958
708	14.12	0.0003	A₁	0.958
707.1	14.14	5.534	B₁	0.958
701.7	14.25	0	A₂	0.958
672.7	14.86	0.1016	B₂	0.958
670.2	14.92	1.557	B₁	0.958
663.2	15.08	0.5648	A₁	0.958
650.3	15.38	0.3357	B₂	0.958
624	16.02	1.51	A₁	0.958
623	16.05	0	A₂	0.958
623	16.05	10.49	B₁	0.958
617.5	16.2	1.965	A₁	0.958
615.2	16.26	0.9053	B₁	0.958
610.6	16.38	0	A₂	0.958
603.4	16.57	0.0106	B₂	0.958
576.9	17.34	0	A₂	0.958
573.8	17.43	12.4	B₁	0.958
573	17.45	0.3616	B₂	0.958
565.4	17.69	0	A₂	0.958
564.6	17.71	0.3373	A₁	0.958
559.3	17.88	1.565	B₂	0.958
555.6	18	3.042	B₁	0.958
550.3	18.17	3.045	B₁	0.958
545.8	18.32	0.0013	A₁	0.958
538.9	18.56	0	A₂	0.958
521.8	19.16	0.4214	B₂	0.958
519.2	19.26	2.293	A₁	0.958
503.7	19.85	0.643	B₂	0.958
484.8	20.63	0.1329	B₁	0.958
473.3	21.13	0.5232	A₁	0.958
468.4	21.35	0.3629	B₂	0.958
464.4	21.54	0	A₂	0.958
450	22.22	0.0109	B₁	0.958
427.1	23.41	8.094	B₂	0.958
420.3	23.79	0.0569	A₁	0.958
400.6	24.96	0	A₂	0.958
384.1	26.03	2.941	A₁	0.958
372	26.88	0	A₂	0.958
370.9	26.96	0.0177	B₁	0.958
369.2	27.08	0.1411	B₁	0.958
363.3	27.53	0	A₂	0.958
359	27.86	0.0111	B₂	0.958
340.3	29.38	0.0276	A₁	0.958
329.2	30.38	3.386	B₁	0.958
305.6	32.73	1.69	B₁	0.958
305.4	32.75	3.977	B₂	0.958
304.4	32.85	0	A₂	0.958
268.1	37.3	3.198	A₁	0.958
262.6	38.08	5.002	B₂	0.958
257.8	38.79	0	A₂	0.958
256	39.07	2.4	B₁	0.958
233.1	42.91	2.389	A₁	0.958
219.3	45.6	0	A₂	0.958
219	45.66	2.058	B₁	0.958
181.4	55.13	0	A₂	0.958
175.2	57.07	0.1762	B₁	0.958
148.6	67.28	0.0578	B₁	0.958
125.6	79.64	0	A₂	0.958
108.5	92.13	0.6838	B₁	0.958
87.55	114.2	0	A₂	0.958
64.77	154.4	4.032	B₁	0.958
42.82	233.5	0	A₂	0.958
42.58	234.8	1.063	B₁	0.958

Vibrations

Note(s):

C47H17+ C2v

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