NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3125	3.2	6.888	A₁	0.958
3124	3.201	9.171	B₂	0.958
3111	3.215	2.83	A₁	0.958
3111	3.215	38.84	B₂	0.958
3096	3.23	9.383	A₁	0.958
3096	3.23	10.56	B₂	0.958
3094	3.232	2.594	A₁	0.958
3094	3.232	2.47	B₂	0.958
3085	3.241	0.0001	A₁	0.958
3085	3.241	1.547	B₂	0.958
3079	3.248	1.369	A₁	0.958
3079	3.248	0.0231	B₂	0.958
3075	3.252	2.305	A₁	0.958
1585	6.311	8.866	A₁	0.958
1580	6.33	268	B₂	0.958
1556	6.428	118.1	A₁	0.958
1538	6.5	111.2	B₂	0.958
1507	6.636	0.3667	A₁	0.958
1497	6.679	35.77	A₁	0.958
1497	6.682	71.29	B₂	0.958
1467	6.819	0.518	B₂	0.958
1462	6.838	32.52	A₁	0.958
1430	6.991	0.2285	A₁	0.958
1430	6.994	3.053	B₂	0.958
1425	7.018	3.889	B₂	0.958
1401	7.136	2.296	A₁	0.958
1396	7.164	25.76	B₂	0.958
1388	7.202	2.913	A₁	0.958
1378	7.258	103	B₂	0.958
1360	7.353	13.04	A₁	0.958
1354	7.384	57.7	B₂	0.958
1299	7.696	0.3162	A₁	0.958
1298	7.702	869.5	B₂	0.958
1278	7.824	305.9	B₂	0.958
1269	7.881	0.8197	A₁	0.958
1248	8.014	243.7	B₂	0.958
1245	8.032	12.7	A₁	0.958
1220	8.196	246.5	B₂	0.958
1201	8.323	0.4171	A₁	0.958
1182	8.458	0.8773	A₁	0.958
1182	8.461	62.63	B₂	0.958
1156	8.649	60.75	B₂	0.958
1148	8.71	1.396	A₁	0.958
1112	8.99	176.9	B₂	0.958
1103	9.066	0.3134	A₁	0.958
1086	9.207	1300	B₂	0.958
1023	9.78	0.4843	A₁	0.958
1018	9.824	107.5	B₂	0.958
1001	9.986	6.744	A₁	0.958
1000	10	0.576	B₁	0.958
999.2	10.01	0	A₂	0.958
975.8	10.25	1.762	B₁	0.958
974.4	10.26	0	A₂	0.958
973.4	10.27	109.1	B₂	0.958
964.2	10.37	4.799	B₁	0.958
960.1	10.42	0	A₂	0.958
915.1	10.93	50.85	B₁	0.958
884.8	11.3	21.07	B₂	0.958
882	11.34	0.1113	B₁	0.958
880.9	11.35	0	A₂	0.958
852.9	11.72	2.238	A₁	0.958
829.7	12.05	0	A₂	0.958
816.5	12.25	6.404	B₁	0.958
800.3	12.49	74.94	B₁	0.958
790.8	12.65	0	A₂	0.958
768.7	13.01	0.1237	A₁	0.958
761.8	13.13	8.86	B₂	0.958
751.9	13.3	0	A₂	0.958
750.5	13.33	42.31	B₁	0.958
719.1	13.91	40.06	B₁	0.958
694.1	14.41	0.8802	A₁	0.958
693.9	14.41	16.64	B₂	0.958
663.6	15.07	0	A₂	0.958
645.4	15.49	3.664	A₁	0.958
590.2	16.94	0.7831	B₂	0.958
561.7	17.8	0.1209	A₁	0.958
539.3	18.54	0	A₂	0.958
523.9	19.09	45.63	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	0.8042	B₁	0.958
491.9	20.33	105.8	B₂	0.958
487.5	20.51	0	A₂	0.958
425	23.53	7.684	B₁	0.958
403.1	24.81	0.2531	A₁	0.958
400.9	24.94	0	A₂	0.958
399.1	25.06	0.3549	B₁	0.958
392.5	25.47	170.8	B₂	0.958
305.8	32.7	0.576	A₁	0.958
290.4	34.44	0	A₂	0.958
280.2	35.68	0.2153	B₁	0.958
214.3	46.66	78.38	B₂	0.958
200.9	49.77	0	A₂	0.958
184.6	54.18	1.694	B₁	0.958
138.4	72.27	7.972	B₁	0.958
110.2	90.76	0	A₂	0.958
109.5	91.31	0.0448	A₁	0.958
55.68	179.6	2.266	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:

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