NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3073	3.254	0.8166	A₁	0.958
3072	3.255	96.11	B₂	0.958
3063	3.265	52.52	A₁	0.958
3058	3.27	3.679	B₂	0.958
3058	3.27	34.87	A₁	0.958
3046	3.283	0.3495	A₁	0.958
3046	3.283	0.1042	B₂	0.958
3043	3.287	1.96	B₂	0.958
2947	3.393	12.6	B₁	0.958
2915	3.43	15.8	A₁	0.958
1618	6.18	1.774	A₁	0.958
1603	6.239	0.1305	B₂	0.958
1584	6.313	1.397	A₁	0.958
1578	6.335	5.422	B₂	0.958
1493	6.699	1.261	A₁	0.958
1485	6.735	1.084	B₂	0.958
1452	6.889	0.111	A₁	0.958
1448	6.907	5.269	A₁	0.958
1436	6.965	8.478	A₁	0.958
1424	7.024	9.199	B₂	0.958
1409	7.095	3.621	B₂	0.958
1353	7.39	0.5555	A₁	0.958
1346	7.429	0.1478	B₂	0.958
1309	7.638	4.795	A₁	0.958
1261	7.927	0.0218	B₂	0.958
1226	8.154	0.0509	B₂	0.958
1212	8.248	6.13	A₁	0.958
1207	8.287	0.4161	A₁	0.958
1195	8.365	0.1959	B₂	0.958
1176	8.504	0.3309	B₂	0.958
1167	8.571	0.0385	A₁	0.958
1149	8.704	0.2754	A₁	0.958
1140	8.775	0	A₂	0.958
1056	9.466	4.641	B₂	0.958
1023	9.773	0.011	A₁	0.958
1007	9.926	1.032	B₂	0.958
995.9	10.04	0.3245	B₂	0.958
975.7	10.25	0	A₂	0.958
974	10.27	3.847	B₁	0.958
965.5	10.36	0.0402	A₁	0.958
963.6	10.38	0	A₂	0.958
948.2	10.55	1.539	B₁	0.958
898	11.14	0	A₂	0.958
888.7	11.25	8.866	B₁	0.958
822.9	12.15	65.47	B₁	0.958
814.6	12.28	0	A₂	0.958
814.2	12.28	0.4267	A₁	0.958
772.6	12.94	0	A₂	0.958
767.6	13.03	6.706	B₂	0.958
751.2	13.31	35.45	B₁	0.958
703.5	14.21	13.65	B₁	0.958
692.2	14.45	0.0182	B₂	0.958
649	15.41	1.125	A₁	0.958
614.9	16.26	0	A₂	0.958
587	17.04	1.409	A₁	0.958
565.1	17.7	0	A₂	0.958
543.3	18.41	0.1424	B₂	0.958
519.7	19.24	0.1685	B₂	0.958
498	20.08	1.386	B₁	0.958
484.4	20.65	0.8547	B₂	0.958
468.7	21.34	0.9831	B₁	0.958
435.7	22.95	0.0124	A₁	0.958
424.4	23.56	0	A₂	0.958
332.8	30.05	1.414	A₁	0.958
281	35.59	0	A₂	0.958
256.1	39.05	1.581	B₁	0.958
198.6	50.34	7.481	B₁	0.958
182.9	54.67	0	A₂	0.958
93.07	107.5	1.046	B₁	0.958

Vibrations

Note(s):

Cp[def]Ph

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