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	83.09	B_1U	0.958
3079	3.248	0	A_G	0.958
3079	3.248	60.99	B_2U	0.958
3071	3.256	0	B_3G	0.958
3071	3.256	13.96	B_2U	0.958
3067	3.261	0	A_G	0.958
3066	3.261	12.09	B_1U	0.958
3062	3.266	11.32	B_1U	0.958
3062	3.266	0	B_3G	0.958
3062	3.266	0	A_G	0.958
3062	3.266	34.29	B_2U	0.958
3060	3.268	0.1434	B_1U	0.958
3060	3.268	0	B_3G	0.958
3059	3.269	0	A_G	0.958
3059	3.269	1.808	B_2U	0.958
3058	3.27	0	B_3G	0.958
3058	3.27	0.6553	B_1U	0.958
1610	6.211	0	A_G	0.958
1602	6.242	103.2	B_2U	0.958
1593	6.276	17.52	B_1U	0.958
1586	6.306	0	B_3G	0.958
1572	6.361	0	A_G	0.958
1564	6.393	109.3	B_1U	0.958
1564	6.395	0	A_G	0.958
1557	6.422	0	B_3G	0.958
1549	6.455	163.9	B_2U	0.958
1539	6.499	98.57	B_1U	0.958
1534	6.52	0	A_G	0.958
1531	6.532	0	B_3G	0.958
1528	6.546	86.73	B_2U	0.958
1522	6.569	28.12	B_1U	0.958
1504	6.649	0	A_G	0.958
1487	6.727	137.7	B_2U	0.958
1481	6.751	31.94	B_1U	0.958
1476	6.776	0	B_3G	0.958
1458	6.861	0	B_3G	0.958
1455	6.871	0	B_3G	0.958
1455	6.875	0	A_G	0.958
1454	6.877	19.99	B_2U	0.958
1437	6.959	0	A_G	0.958
1436	6.965	9.707	B_2U	0.958
1432	6.983	0.1579	B_1U	0.958
1418	7.05	0	B_3G	0.958
1418	7.052	1.199	B_2U	0.958
1402	7.135	14.86	B_1U	0.958
1397	7.157	18.38	B_2U	0.958
1397	7.157	88.19	?A	0.958
1397	7.157	0.0006	?A	0.958
1392	7.185	0	A_G	0.958
1377	7.26	2.121	B_2U	0.958
1376	7.265	0	B_3G	0.958
1372	7.287	0.0044	B_1U	0.958
1370	7.3	0	B_3G	0.958
1369	7.305	0	A_G	0.958
1352	7.395	0.9697	B_2U	0.958
1349	7.41	65.12	B_1U	0.958
1346	7.43	0	A_G	0.958
1337	7.482	0	A_G	0.958
1332	7.506	0	B_3G	0.958
1326	7.543	247.7	B_2U	0.958
1321	7.573	2.854	B_1U	0.958
1316	7.599	0	A_G	0.958
1306	7.654	0	B_3G	0.958
1304	7.669	107.2	B_2U	0.958
1285	7.779	0	A_G	0.958
1282	7.801	133	B_2U	0.958
1256	7.963	0	B_3G	0.958
1238	8.08	8.672	B_1U	0.958
1225	8.165	0	A_G	0.958
1207	8.286	54.59	B_2U	0.958
1199	8.341	6.044	B_1U	0.958
1198	8.349	0	B_3G	0.958
1195	8.37	0	B_3G	0.958
1194	8.376	3.609	B_2U	0.958
1189	8.41	0	A_G	0.958
1184	8.444	65.88	B_2U	0.958
1184	8.446	0	A_G	0.958
1181	8.469	0	B_3G	0.958
1181	8.469	16.06	B_1U	0.958
1173	8.526	0.028	B_2U	0.958
1138	8.788	18.67	B_1U	0.958
1110	9.008	0	A_G	0.958
1099	9.096	1.454	B_2U	0.958
1081	9.25	0	A_G	0.958
1080	9.256	0	B_3G	0.958
1069	9.357	6.646	B_1U	0.958
1064	9.398	6.01	B_2U	0.958
1046	9.559	3.78	B_1U	0.958
1035	9.662	0	B_3G	0.958
995	10.05	0	B_2G	0.958
995	10.05	1.541	B_3U	0.958
987.8	10.12	0	B_2G	0.958
987.7	10.12	0	A_U	0.958
983.4	10.17	0	A_G	0.958
945.3	10.58	24.92	B_1U	0.958
935.2	10.69	0	B_1G	0.958
934	10.71	0	A_U	0.958
922.5	10.84	188.7	B_3U	0.958
917.5	10.9	0	B_2G	0.958
909.2	11	0	B_1G	0.958
905.3	11.05	2.266	B_2U	0.958
904.8	11.05	0	A_G	0.958
901.9	11.09	0	A_U	0.958
899.4	11.12	0	B_3G	0.958
879.1	11.38	0.026	B_3U	0.958
868.4	11.52	0	B_2G	0.958
865.7	11.55	0	B_1G	0.958
856.9	11.67	0	A_U	0.958
850.7	11.75	0	A_G	0.958
836.6	11.95	38.38	B_1U	0.958
832.8	12.01	0	B_3G	0.958
801.3	12.48	1.277	B_1U	0.958
800.6	12.49	44.44	B_3U	0.958
795.3	12.57	0	B_1G	0.958
793	12.61	0	B_2G	0.958
791.9	12.63	0	B_3G	0.958
788.5	12.68	0.3169	B_3U	0.958
786.8	12.71	1.48	B_2U	0.958
771.5	12.96	0	B_2G	0.958
769.1	13	0	A_U	0.958
768.4	13.01	29.66	B_3U	0.958
757.5	13.2	0	B_2G	0.958
739.7	13.52	0	B_1G	0.958
734.2	13.62	0	A_G	0.958
728.6	13.73	12.01	B_3U	0.958
719.2	13.9	0	B_2G	0.958
712.7	14.03	0	A_U	0.958
705.7	14.17	8.456	B_1U	0.958
694.4	14.4	0	B_2G	0.958
689.4	14.5	4.722	B_1U	0.958
660	15.15	0	B_3G	0.958
657.8	15.2	0.0515	B_2U	0.958
657.4	15.21	0	A_G	0.958
653	15.31	11.69	B_3U	0.958
632.4	15.81	0	B_1G	0.958
626.4	15.96	1.312	B_2U	0.958
620.3	16.12	0	A_G	0.958
620	16.13	21.15	B_3U	0.958
619.3	16.15	0	A_U	0.958
604.9	16.53	0.0879	B_2U	0.958
604.5	16.54	6.129	B_1U	0.958
592.9	16.87	0	B_2G	0.958
579.8	17.25	0	A_U	0.958
574.9	17.4	0	B_3G	0.958
571.2	17.51	0	B_1G	0.958
569.9	17.55	2.946	B_1U	0.958
567	17.64	0	B_3G	0.958
555.6	18	1.039	B_3U	0.958
548.5	18.23	0	B_2G	0.958
547.2	18.27	0	B_1G	0.958
530.7	18.84	0	B_2G	0.958
529.7	18.88	0	B_3G	0.958
510.4	19.59	6.975	B_1U	0.958
510	19.61	0.1639	B_3U	0.958
508.9	19.65	0	A_U	0.958
504.3	19.83	0	A_G	0.958
495.3	20.19	0.0461	B_2U	0.958
489.2	20.44	0	A_G	0.958
460.1	21.74	0.3192	B_2U	0.958
436	22.93	0	B_2G	0.958
402.7	24.84	0	B_3G	0.958
393.8	25.39	0	A_U	0.958
380.6	26.27	0	B_2G	0.958
377.9	26.46	24.02	B_1U	0.958
377.4	26.5	0	B_1G	0.958
374.6	26.7	0.905	B_3U	0.958
348.2	28.72	0	A_G	0.958
345.2	28.97	0.9214	B_2U	0.958
330.4	30.27	2.768	B_1U	0.958
330	30.3	0	B_1G	0.958
329.3	30.37	0	A_U	0.958
322	31.05	11.48	B_3U	0.958
304.4	32.86	0	B_2G	0.958
299.6	33.38	0	B_3G	0.958
290.6	34.41	0.0145	B_3U	0.958
277	36.1	0	A_U	0.958
265.7	37.63	0	B_3G	0.958
233.3	42.86	0	A_G	0.958
219.5	45.56	0	B_1G	0.958
209.5	47.73	1.208	B_3U	0.958
205	48.78	0	B_2G	0.958
184.3	54.26	3.35	B_2U	0.958
172.6	57.95	0	B_1G	0.958
161.1	62.09	0	B_2G	0.958
150.8	66.32	0	A_U	0.958
127.1	78.68	0.0192	B_3U	0.958
90.22	110.8	0	B_1G	0.958
70.65	141.5	4.368	B_3U	0.958
67.46	148.2	0	B_2G	0.958
52.16	191.7	0	A_U	0.958
27.54	363.1	1.122	B_3U	0.958

Vibrations

Note(s):

C48H18+ higher symmetry

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