NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3072	3.255	1.647	A	0.958
3072	3.255	94.64	B	0.958
3062	3.266	44.72	A	0.958
3050	3.278	0.2128	B	0.958
3050	3.279	39.24	A	0.958
3042	3.287	1.815	B	0.958
3042	3.287	4.309	A	0.958
3040	3.289	0.9815	B	0.958
2947	3.393	48.42	A	0.958
2947	3.393	23.93	B	0.958
2882	3.47	41.18	B	0.958
2871	3.484	14.78	A	0.958
1606	6.227	0.2449	A	0.958
1597	6.263	5.196	B	0.958
1585	6.309	2.818	A	0.958
1569	6.374	1.452	B	0.958
1510	6.621	0.306	A	0.958
1493	6.696	0.6515	B	0.958
1469	6.809	2.099	A	0.958
1468	6.814	5.892	B	0.958
1447	6.912	9.322	A	0.958
1433	6.979	7.63	B	0.958
1422	7.031	4.096	B	0.958
1394	7.172	0.0052	A	0.958
1360	7.354	0.1427	B	0.958
1348	7.417	0.318	A	0.958
1334	7.498	0.295	B	0.958
1314	7.61	8.549	A	0.958
1303	7.676	4.327	A	0.958
1254	7.973	0.6314	B	0.958
1240	8.062	0.5373	B	0.958
1227	8.148	0.9887	A	0.958
1218	8.21	6.111	A	0.958
1187	8.427	4.46	A	0.958
1185	8.441	0.4405	B	0.958
1175	8.511	0.4714	A	0.958
1169	8.552	1.211	B	0.958
1162	8.606	0.5709	A	0.958
1088	9.188	4.727	B	0.958
1067	9.376	0.2033	B	0.958
1065	9.39	0.2416	A	0.958
1036	9.648	0.9559	A	0.958
999.8	10	0.4422	B	0.958
987	10.13	0.0072	A	0.958
979.6	10.21	0.0082	A	0.958
973	10.28	1.851	B	0.958
965.2	10.36	0.0976	A	0.958
916.4	10.91	0.3524	A	0.958
905.6	11.04	1.421	B	0.958
894.6	11.18	0.1898	A	0.958
854.9	11.7	8.564	B	0.958
835.3	11.97	70.83	B	0.958
813.7	12.29	0.0051	A	0.958
793.3	12.61	1.004	A	0.958
773.8	12.92	0.2648	A	0.958
768.9	13.01	2.82	B	0.958
756.5	13.22	14.05	B	0.958
724.8	13.8	26.33	B	0.958
699	14.31	2.722	B	0.958
620.2	16.12	0.2257	A	0.958
619.3	16.15	1.452	B	0.958
575	17.39	0.0007	A	0.958
566.9	17.64	0.0303	A	0.958
545.6	18.33	1.063	A	0.958
510.3	19.6	0.737	B	0.958
498.7	20.05	1.569	B	0.958
485.1	20.61	0.6369	B	0.958
474.4	21.08	0.6087	B	0.958
439.4	22.76	0.5239	A	0.958
419.9	23.82	1.265	B	0.958
390.8	25.59	0.0169	A	0.958
352.3	28.39	0.82	A	0.958
304.5	32.84	0.4873	A	0.958
233.3	42.86	0.0802	B	0.958
209.6	47.72	0.1169	A	0.958
198.6	50.35	7.059	B	0.958
132.3	75.59	0.0646	A	0.958
86.38	115.8	0.128	B	0.958

Vibrations

Note(s):

Dhp nonplanar

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