NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3127	3.198	6.87	A₁	0.958
3126	3.199	9.07	B₂	0.958
3112	3.213	2.88	A₁	0.958
3112	3.213	38.8	B₂	0.958
3098	3.228	9.71	A₁	0.958
3097	3.229	10.9	B₂	0.958
3095	3.231	2.3	A₁	0.958
3095	3.231	2.2	B₂	0.958
3086	3.24	0.0003	A₁	0.958
3086	3.24	1.67	B₂	0.958
3080	3.246	1.39	A₁	0.958
3080	3.247	0.033	B₂	0.958
3076	3.251	2.24	A₁	0.958
1585	6.311	8.95	A₁	0.958
1580	6.33	269	B₂	0.958
1556	6.429	119	A₁	0.958
1538	6.5	110	B₂	0.958
1507	6.635	0.247	A₁	0.958
1497	6.679	35.6	A₁	0.958
1496	6.682	71.2	B₂	0.958
1466	6.819	0.426	B₂	0.958
1463	6.836	32.4	A₁	0.958
1430	6.992	0.284	A₁	0.958
1430	6.993	3.11	B₂	0.958
1425	7.02	3.63	B₂	0.958
1402	7.134	2.2	A₁	0.958
1396	7.163	25.4	B₂	0.958
1388	7.203	2.94	A₁	0.958
1378	7.258	104	B₂	0.958
1360	7.354	13	A₁	0.958
1354	7.385	54.8	B₂	0.958
1300	7.695	0.301	A₁	0.958
1299	7.7	869	B₂	0.958
1278	7.824	308	B₂	0.958
1269	7.88	0.796	A₁	0.958
1248	8.015	246	B₂	0.958
1245	8.033	12.7	A₁	0.958
1220	8.198	248	B₂	0.958
1201	8.323	0.419	A₁	0.958
1182	8.457	0.878	A₁	0.958
1182	8.461	62.1	B₂	0.958
1157	8.646	60.9	B₂	0.958
1148	8.708	1.37	A₁	0.958
1112	8.989	185	B₂	0.958
1103	9.067	0.321	A₁	0.958
1086	9.208	1.29e+3	B₂	0.958
1023	9.778	0.462	A₁	0.958
1018	9.823	105	B₂	0.958
1001	9.986	6.77	A₁	0.958
1000	10	0.576	B₁	0.958
999.1	10.01	0	A₂	0.958
975.7	10.25	1.37	B₁	0.958
974.1	10.27	0	A₂	0.958
973.5	10.27	110	B₂	0.958
964.1	10.37	5.17	B₁	0.958
960	10.42	0	A₂	0.958
915.6	10.92	50.3	B₁	0.958
884.8	11.3	21.4	B₂	0.958
881.8	11.34	0.123	B₁	0.958
880.6	11.36	0	A₂	0.958
852.7	11.73	2.23	A₁	0.958
829.9	12.05	0	A₂	0.958
816.3	12.25	5.96	B₁	0.958
801.1	12.48	75.5	B₁	0.958
790.4	12.65	0	A₂	0.958
768.6	13.01	0.128	A₁	0.958
761.6	13.13	8.82	B₂	0.958
751.6	13.31	0	A₂	0.958
750.2	13.33	43	B₁	0.958
718.8	13.91	39.8	B₁	0.958
694.3	14.4	0.889	A₁	0.958
693.7	14.41	16.8	B₂	0.958
663.5	15.07	0	A₂	0.958
645.5	15.49	3.64	A₁	0.958
590.2	16.94	0.786	B₂	0.958
561.7	17.8	0.121	A₁	0.958
539.3	18.54	0	A₂	0.958
523.5	19.1	44.9	B₂	0.958
520.1	19.23	0.414	A₁	0.958
519.7	19.24	5.47	B₁	0.958
503.4	19.86	0.744	B₁	0.958
491.7	20.34	106	B₂	0.958
487.5	20.51	0	A₂	0.958
425	23.53	7.83	B₁	0.958
403	24.81	0.255	A₁	0.958
401.1	24.93	0	A₂	0.958
400	25	0.365	B₁	0.958
392.5	25.48	172	B₂	0.958
305.6	32.72	0.571	A₁	0.958
291.1	34.35	0	A₂	0.958
280.5	35.65	0.223	B₁	0.958
214.5	46.63	78.6	B₂	0.958
201.3	49.69	0	A₂	0.958
185.3	53.97	1.65	B₁	0.958
139	71.94	8	B₁	0.958
112	89.27	0	A₂	0.958
109.3	91.47	0.0449	A₁	0.958
58.16	171.9	2.28	B₁	0.958
45.76	218.5	0	A₂	0.958

Note(s):

BP86 1,2:7,8 dibenzoanthracene cation with nitrogen at site 9

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