NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3045	3.284	0	A_G	0.958
3044	3.286	441.8	B_2U	0.958
3042	3.287	341.7	B_1U	0.958
3042	3.287	0	B_3G	0.958
3040	3.289	0	A_G	0.958
3040	3.289	30.09	B_2U	0.958
3029	3.301	0	A_G	0.958
3029	3.301	85.37	B_1U	0.958
3024	3.307	0	B_3G	0.958
3024	3.307	5.117	B_2U	0.958
3019	3.312	18.11	B_1U	0.958
3019	3.312	0	B_3G	0.958
3017	3.314	0	A_G	0.958
3017	3.314	47.32	B_2U	0.958
3016	3.316	4.077	B_1U	0.958
3016	3.316	0	B_3G	0.958
1591	6.287	0	A_G	0.958
1587	6.302	0	B_3G	0.958
1586	6.306	16.27	B_2U	0.958
1583	6.318	0.4035	B_1U	0.958
1575	6.35	0	A_G	0.958
1569	6.375	247.8	B_2U	0.958
1549	6.454	0.4813	B_1U	0.958
1543	6.481	0	B_3G	0.958
1535	6.514	0	A_G	0.958
1517	6.593	0.0075	B_1U	0.958
1512	6.613	0	B_3G	0.958
1494	6.695	0	B_3G	0.958
1485	6.735	6.225	B_1U	0.958
1467	6.815	22.33	B_2U	0.958
1464	6.83	0	A_G	0.958
1461	6.843	1.257	B_1U	0.958
1453	6.882	60.3	B_2U	0.958
1436	6.963	0	A_G	0.958
1431	6.987	0	B_3G	0.958
1422	7.033	0	B_3G	0.958
1418	7.051	112.1	B_2U	0.958
1415	7.067	0.1539	B_1U	0.958
1412	7.08	0	A_G	0.958
1386	7.214	0.001	B_2U	0.958
1385	7.218	0	B_3G	0.958
1384	7.224	42.53	B_1U	0.958
1383	7.233	0	A_G	0.958
1370	7.3	23.85	B_2U	0.958
1360	7.351	0	B_3G	0.958
1359	7.359	2.094	B_1U	0.958
1357	7.367	0	A_G	0.958
1345	7.437	0	A_G	0.958
1343	7.443	17.43	B_2U	0.958
1333	7.502	18.47	B_2U	0.958
1316	7.6	0	A_G	0.958
1315	7.602	39.9	B_1U	0.958
1302	7.678	827.6	B_2U	0.958
1297	7.709	0	B_3G	0.958
1277	7.832	25.41	B_1U	0.958
1269	7.878	0	B_3G	0.958
1244	8.038	70.04	B_2U	0.958
1239	8.073	0	A_G	0.958
1228	8.145	0.3787	B_1U	0.958
1217	8.216	0	B_3G	0.958
1214	8.235	13.37	B_1U	0.958
1212	8.249	0	A_G	0.958
1209	8.269	44.19	B_2U	0.958
1201	8.324	0	A_G	0.958
1178	8.492	1.437	B_2U	0.958
1177	8.497	0	B_3G	0.958
1158	8.637	1.349	B_2U	0.958
1154	8.663	0	A_G	0.958
1148	8.709	17.58	B_1U	0.958
1141	8.764	4.318	B_2U	0.958
1135	8.812	0	B_3G	0.958
1103	9.066	2.503	B_1U	0.958
1098	9.108	0	A_G	0.958
1094	9.137	0	B_3G	0.958
1044	9.579	0	A_G	0.958
1016	9.847	1.022	B_2U	0.958
971.7	10.29	0	A_G	0.958
948.7	10.54	0.6504	B_1U	0.958
945.8	10.57	0	B_2G	0.958
945.2	10.58	0	A_U	0.958
940.4	10.63	0.1057	B_3U	0.958
940	10.64	0	B_1G	0.958
932.5	10.72	1.168	B_2U	0.958
925.2	10.81	0	B_2G	0.958
924.9	10.81	0	A_U	0.958
915.6	10.92	0.6056	B_1U	0.958
895.4	11.17	0	B_3G	0.958
855	11.7	0	B_2G	0.958
854.5	11.7	198.7	B_3U	0.958
834.7	11.98	0	B_1G	0.958
822.6	12.16	0	A_U	0.958
819.3	12.2	44.78	B_3U	0.958
814.9	12.27	0	B_3G	0.958
799.3	12.51	0	A_G	0.958
798.4	12.53	0	B_2G	0.958
798	12.53	0	B_1G	0.958
790.1	12.66	0	A_U	0.958
778.2	12.85	0	B_2G	0.958
768.2	13.02	0	B_3G	0.958
767.4	13.03	0.3481	B_3U	0.958
763.5	13.1	0.0004	B_1U	0.958
763.5	13.1	0	A_G	0.958
758.8	13.18	0	A_U	0.958
754.3	13.26	1.143	B_3U	0.958
750.7	13.32	0	B_1G	0.958
748.7	13.36	2.787	B_2U	0.958
747.5	13.38	0	B_2G	0.958
737	13.57	0	B_1G	0.958
715	13.99	3.008	B_1U	0.958
707.4	14.14	2.902	B_3U	0.958
706.6	14.15	0	A_U	0.958
694.5	14.4	7.596	B_2U	0.958
684.6	14.61	0	B_3G	0.958
657.9	15.2	0	B_1U	0.958
649.6	15.4	0	B_2G	0.958
636.6	15.71	0	B_3G	0.958
635.8	15.73	0	B_2G	0.958
629.6	15.88	0	A_U	0.958
618.5	16.17	0	B_3G	0.958
603.7	16.56	0	B_1G	0.958
589.3	16.97	0	B_2G	0.958
570.8	17.52	16.89	B_3U	0.958
568.7	17.58	18.62	B_2U	0.958
567	17.64	0.2348	B_1U	0.958
565.9	17.67	0	A_G	0.958
565.3	17.69	0	A_U	0.958
537.8	18.6	7.135	B_3U	0.958
532.5	18.78	1.867	B_1U	0.958
530	18.87	0	B_1G	0.958
502	19.92	0	B_3G	0.958
497.7	20.09	0.0059	B_3U	0.958
495.9	20.16	0	A_G	0.958
488	20.49	10.31	B_2U	0.958
486.7	20.55	0	B_2G	0.958
481.3	20.77	0	A_U	0.958
426.8	23.43	0	A_G	0.958
425.3	23.51	1.204	B_1U	0.958
410.3	24.37	0	B_3G	0.958
402.7	24.83	0	B_1G	0.958
401.8	24.89	8.852	B_2U	0.958
388.7	25.72	1.24	B_2U	0.958
387.4	25.81	0	A_G	0.958
370.6	26.98	0	B_2G	0.958
359.4	27.83	0	B_1G	0.958
351	28.49	0	A_U	0.958
342.9	29.17	0.356	B_3U	0.958
293.2	34.1	0	B_2G	0.958
280.1	35.7	0	A_U	0.958
276.1	36.23	0	B_3G	0.958
269.5	37.11	0	A_G	0.958
259.1	38.59	0	B_2G	0.958
250	39.99	3.259	B_3U	0.958
238.9	41.86	0	B_1G	0.958
206.2	48.49	8.223	B_1U	0.958
196.6	50.88	0	A_U	0.958
163.6	61.12	0.0001	B_3U	0.958
147.7	67.69	0	B_1G	0.958
109.1	91.65	0	B_2G	0.958
102.1	97.97	0.9197	B_3U	0.958
98.5	101.5	0	B_1G	0.958
45.08	221.8	0	A_U	0.958
42.02	238	0.186	B_3U	0.958

Vibrations

Note(s):

Circumantracene-

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