NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3075	3.252	0	A_G	0.958
3074	3.253	275.3	B_1U	0.958
3064	3.264	0	A_G	0.958
3064	3.264	124.9	B_2U	0.958
3056	3.272	45.53	B_2U	0.958
3056	3.272	0	B_3G	0.958
3048	3.281	0.0402	B_1U	0.958
3048	3.281	0	A_G	0.958
3046	3.283	0	B_3G	0.958
3046	3.283	48.96	B_1U	0.958
3045	3.284	93.45	B_2U	0.958
3045	3.284	0	A_G	0.958
3043	3.286	0	B_3G	0.958
3043	3.286	2.733	B_1U	0.958
3042	3.288	0	A_G	0.958
3042	3.288	4.238	B_2U	0.958
3041	3.289	0.2423	B_1U	0.958
3041	3.289	0	B_3G	0.958
1617	6.186	0	A_G	0.958
1610	6.21	1.225	B_2U	0.958
1604	6.233	12.09	B_1U	0.958
1595	6.269	0	B_3G	0.958
1582	6.323	15.41	B_1U	0.958
1575	6.347	0	A_G	0.958
1562	6.401	10.77	B_2U	0.958
1561	6.408	0	A_G	0.958
1559	6.414	0	B_3G	0.958
1547	6.463	0	B_3G	0.958
1542	6.486	3.786	B_2U	0.958
1541	6.488	34.56	B_1U	0.958
1540	6.494	0	A_G	0.958
1526	6.554	16.64	B_1U	0.958
1508	6.632	0	A_G	0.958
1498	6.678	1.207	B_2U	0.958
1482	6.747	43.21	B_1U	0.958
1475	6.779	0	B_3G	0.958
1464	6.829	0	B_3G	0.958
1461	6.843	7.431	B_2U	0.958
1456	6.87	0	A_G	0.958
1451	6.894	0	B_3G	0.958
1443	6.929	0	A_G	0.958
1438	6.953	0.4017	B_2U	0.958
1428	7.001	0.6191	B_1U	0.958
1418	7.053	1.898	B_2U	0.958
1414	7.07	0	B_3G	0.958
1405	7.117	1.637	B_1U	0.958
1398	7.155	0	B_3G	0.958
1396	7.165	0	A_G	0.958
1393	7.18	1.725	B_2U	0.958
1391	7.188	47.73	B_1U	0.958
1381	7.242	0	B_3G	0.958
1380	7.244	1.315	B_2U	0.958
1373	7.286	4.843	B_1U	0.958
1372	7.289	0	A_G	0.958
1368	7.31	0	B_3G	0.958
1360	7.356	0.5979	B_2U	0.958
1356	7.374	0.5792	B_1U	0.958
1346	7.429	0	A_G	0.958
1336	7.487	0	A_G	0.958
1333	7.499	0	B_3G	0.958
1322	7.564	4.032	B_2U	0.958
1314	7.611	0.0508	B_1U	0.958
1313	7.615	0	A_G	0.958
1301	7.684	0	B_3G	0.958
1298	7.702	2.107	B_2U	0.958
1285	7.784	0.0459	B_2U	0.958
1278	7.824	0	A_G	0.958
1258	7.948	0	B_3G	0.958
1237	8.082	5.047	B_1U	0.958
1224	8.167	0	A_G	0.958
1208	8.276	6.817	B_2U	0.958
1201	8.324	13.29	B_1U	0.958
1194	8.373	0	B_3G	0.958
1189	8.408	0	B_3G	0.958
1188	8.414	3.444	B_2U	0.958
1188	8.419	0	A_G	0.958
1185	8.439	5.462	B_2U	0.958
1178	8.492	0	B_3G	0.958
1177	8.493	14.19	B_1U	0.958
1177	8.499	0	A_G	0.958
1166	8.578	0.8767	B_2U	0.958
1136	8.804	3.87	B_1U	0.958
1106	9.043	0	A_G	0.958
1095	9.129	1.003	B_2U	0.958
1078	9.274	0	A_G	0.958
1076	9.294	0	B_3G	0.958
1068	9.367	3.471	B_1U	0.958
1059	9.443	0.3196	B_2U	0.958
1044	9.579	0.0687	B_1U	0.958
1034	9.668	0	B_3G	0.958
982.8	10.18	0	A_G	0.958
977.3	10.23	0	B_2G	0.958
976.9	10.24	0	A_U	0.958
974.5	10.26	3.622	B_3U	0.958
974.4	10.26	0	B_2G	0.958
945.5	10.58	13.34	B_1U	0.958
910.6	10.98	0	B_1G	0.958
907.3	11.02	201.9	B_3U	0.958
907.1	11.02	0	A_U	0.958
902.3	11.08	0.9475	B_2U	0.958
901.5	11.09	0	B_2G	0.958
900.7	11.1	0	A_G	0.958
894.9	11.17	0	B_3G	0.958
887.1	11.27	0	B_1G	0.958
879.9	11.36	0	A_U	0.958
864.7	11.56	1.856	B_3U	0.958
854.5	11.7	0	B_2G	0.958
849.8	11.77	0	A_G	0.958
844.4	11.84	0	B_1G	0.958
836.3	11.96	21.83	B_1U	0.958
836.3	11.96	0	A_U	0.958
830	12.05	0	B_3G	0.958
801.6	12.48	2.017	B_1U	0.958
794.8	12.58	34	B_3U	0.958
791	12.64	0	B_3G	0.958
787.2	12.7	0	B_1G	0.958
787.1	12.71	0	B_2G	0.958
784.9	12.74	0.7488	B_2U	0.958
782.1	12.79	5.696	B_3U	0.958
760.4	13.15	32.22	B_3U	0.958
759	13.17	0	B_2G	0.958
754.3	13.26	0	A_U	0.958
747.9	13.37	0	B_2G	0.958
733.8	13.63	0	B_1G	0.958
732.8	13.65	0	A_G	0.958
729.4	13.71	10.64	B_3U	0.958
711.9	14.05	0	B_2G	0.958
708.1	14.12	0	A_U	0.958
705.8	14.17	3.767	B_1U	0.958
695.3	14.38	0	B_2G	0.958
688.7	14.52	2.251	B_1U	0.958
659.3	15.17	0	B_3G	0.958
657	15.22	1.617	B_2U	0.958
656.4	15.23	8.275	B_3U	0.958
656.2	15.24	0	A_G	0.958
631.8	15.83	0	B_1G	0.958
626.4	15.96	0.0006	B_2U	0.958
622	16.08	0	A_G	0.958
618.8	16.16	15.12	B_3U	0.958
618.1	16.18	0	A_U	0.958
604.1	16.55	0.5026	B_2U	0.958
603.3	16.58	12.26	B_1U	0.958
596.6	16.76	0	B_2G	0.958
585.1	17.09	0	A_U	0.958
578	17.3	0	B_1G	0.958
577.3	17.32	0	B_3G	0.958
570.4	17.53	2.08	B_1U	0.958
566.7	17.65	0	B_3G	0.958
558.2	17.91	0.0179	B_3U	0.958
546	18.32	0	B_2G	0.958
544.6	18.36	0	B_1G	0.958
535.8	18.66	0	B_2G	0.958
528.8	18.91	0	B_3G	0.958
515.3	19.41	0.1599	B_3U	0.958
508.9	19.65	2.938	B_1U	0.958
507.5	19.71	0	A_U	0.958
504.4	19.83	0	A_G	0.958
496.5	20.14	2.409	B_2U	0.958
487.3	20.52	0	A_G	0.958
460.9	21.7	1.394	B_2U	0.958
439.7	22.74	0	B_2G	0.958
402.3	24.86	0	B_3G	0.958
390.5	25.61	0	A_U	0.958
381.8	26.19	0	B_2G	0.958
379.3	26.36	13.01	B_1U	0.958
377.8	26.47	0.8653	B_3U	0.958
372.6	26.84	0	B_1G	0.958
346.6	28.85	0	A_G	0.958
345.4	28.95	1.98	B_2U	0.958
329.1	30.39	7.527	B_1U	0.958
326.7	30.61	0	B_1G	0.958
325.3	30.74	0	A_U	0.958
322.3	31.02	8.277	B_3U	0.958
311.8	32.08	0	B_2G	0.958
299.7	33.36	0	B_3G	0.958
291	34.36	0.2816	B_3U	0.958
277.1	36.09	0	A_U	0.958
266.6	37.51	0	B_3G	0.958
233.2	42.89	0	A_G	0.958
218.3	45.8	0	B_1G	0.958
212.6	47.04	0.3127	B_3U	0.958
205.9	48.57	0	B_2G	0.958
185.2	54.01	0.9692	B_2U	0.958
171	58.49	0	B_1G	0.958
164.5	60.79	0	B_2G	0.958
151.3	66.09	0	A_U	0.958
127.5	78.43	0.0479	B_3U	0.958
89.97	111.2	0	B_1G	0.958
71.33	140.2	2.608	B_3U	0.958
67.57	148	0	B_2G	0.958
52.34	191	0	A_U	0.958
27.43	364.6	0.1655	B_3U	0.958

Vibrations

Note(s):

C48H18

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