NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3125	3.2	6.89	A₁	0.958
3124	3.201	9.17	B₂	0.958
3111	3.215	2.83	A₁	0.958
3111	3.215	38.8	B₂	0.958
3096	3.23	9.38	A₁	0.958
3096	3.23	10.6	B₂	0.958
3094	3.232	2.59	A₁	0.958
3094	3.232	2.47	B₂	0.958
3085	3.241	0.0001	A₁	0.958
3085	3.241	1.55	B₂	0.958
3079	3.248	1.37	A₁	0.958
3079	3.248	0.0231	B₂	0.958
3075	3.252	2.31	A₁	0.958
1585	6.311	8.87	A₁	0.958
1580	6.33	268	B₂	0.958
1556	6.428	118	A₁	0.958
1538	6.5	111	B₂	0.958
1507	6.636	0.367	A₁	0.958
1497	6.679	35.8	A₁	0.958
1497	6.682	71.3	B₂	0.958
1467	6.819	0.518	B₂	0.958
1462	6.838	32.5	A₁	0.958
1430	6.991	0.229	A₁	0.958
1430	6.994	3.05	B₂	0.958
1425	7.018	3.89	B₂	0.958
1401	7.136	2.3	A₁	0.958
1396	7.164	25.8	B₂	0.958
1388	7.202	2.91	A₁	0.958
1378	7.258	103	B₂	0.958
1360	7.353	13	A₁	0.958
1354	7.384	57.7	B₂	0.958
1299	7.696	0.316	A₁	0.958
1298	7.702	869	B₂	0.958
1278	7.824	306	B₂	0.958
1269	7.881	0.82	A₁	0.958
1248	8.014	244	B₂	0.958
1245	8.032	12.7	A₁	0.958
1220	8.196	247	B₂	0.958
1201	8.323	0.417	A₁	0.958
1182	8.458	0.877	A₁	0.958
1182	8.461	62.6	B₂	0.958
1156	8.649	60.7	B₂	0.958
1148	8.71	1.4	A₁	0.958
1112	8.99	177	B₂	0.958
1103	9.066	0.313	A₁	0.958
1086	9.207	1.3e+3	B₂	0.958
1023	9.78	0.484	A₁	0.958
1018	9.824	107	B₂	0.958
1001	9.986	6.74	A₁	0.958
1000	10	0.576	B₁	0.958
999.2	10.01	0	A₂	0.958
975.8	10.25	1.76	B₁	0.958
974.4	10.26	0	A₂	0.958
973.4	10.27	109	B₂	0.958
964.2	10.37	4.8	B₁	0.958
960.1	10.42	0	A₂	0.958
915.1	10.93	50.9	B₁	0.958
884.8	11.3	21.1	B₂	0.958
882	11.34	0.111	B₁	0.958
880.9	11.35	0	A₂	0.958
852.9	11.72	2.24	A₁	0.958
829.7	12.05	0	A₂	0.958
816.5	12.25	6.4	B₁	0.958
800.3	12.49	74.9	B₁	0.958
790.8	12.65	0	A₂	0.958
768.7	13.01	0.124	A₁	0.958
761.8	13.13	8.86	B₂	0.958
751.9	13.3	0	A₂	0.958
750.5	13.33	42.3	B₁	0.958
719.1	13.91	40.1	B₁	0.958
694.1	14.41	0.88	A₁	0.958
693.9	14.41	16.6	B₂	0.958
663.6	15.07	0	A₂	0.958
645.4	15.49	3.66	A₁	0.958
590.2	16.94	0.783	B₂	0.958
561.7	17.8	0.121	A₁	0.958
539.3	18.54	0	A₂	0.958
523.9	19.09	45.6	B₂	0.958
520.3	19.22	0.415	A₁	0.958
519.8	19.24	5.47	B₁	0.958
503.1	19.88	0.804	B₁	0.958
491.9	20.33	106	B₂	0.958
487.5	20.51	0	A₂	0.958
425	23.53	7.68	B₁	0.958
403.1	24.81	0.253	A₁	0.958
400.9	24.94	0	A₂	0.958
399.1	25.06	0.355	B₁	0.958
392.5	25.47	171	B₂	0.958
305.8	32.7	0.576	A₁	0.958
290.4	34.44	0	A₂	0.958
280.2	35.68	0.215	B₁	0.958
214.3	46.66	78.4	B₂	0.958
200.9	49.77	0	A₂	0.958
184.6	54.18	1.69	B₁	0.958
138.4	72.27	7.97	B₁	0.958
110.2	90.76	0	A₂	0.958
109.5	91.31	0.0448	A₁	0.958
55.68	179.6	2.27	B₁	0.958
45.31	220.7	0	A₂	0.958

Vibrations

Note(s):

BP86 1,2:7,8 dibenzoanthracene cation with nitrogen

You are kindly asked to consider the following references for citation when using the database:

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, 282, 7, 2025 10.3847/1538-4365/ae1c38 — 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
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