NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3559	2.81	44.04	B₂	0.958
3456	2.894	155.3	A₁	0.958
3103	3.222	0	A₁	0.958
3103	3.223	9.368	B₂	0.958
3090	3.236	7.781	A₁	0.958
3090	3.236	0.0294	B₂	0.958
3077	3.25	0.1528	A₁	0.958
3076	3.251	0.556	B₂	0.958
3071	3.256	0.1028	A₁	0.958
3067	3.26	9.424	A₁	0.958
3067	3.261	0.6797	B₂	0.958
1670	5.99	269.6	A₁	0.958
1580	6.328	40.62	A₁	0.958
1558	6.417	1.155	B₂	0.958
1543	6.482	8.709	A₁	0.958
1534	6.52	9.24	B₂	0.958
1507	6.635	8.372	B₂	0.958
1495	6.69	10.84	A₁	0.958
1461	6.846	53.75	A₁	0.958
1451	6.893	23.45	B₂	0.958
1430	6.993	106.2	A₁	0.958
1411	7.087	8.761	B₂	0.958
1360	7.351	98.44	B₂	0.958
1347	7.421	9.931	A₁	0.958
1334	7.494	170.8	B₂	0.958
1297	7.708	1.491	A₁	0.958
1265	7.903	0.1465	A₁	0.958
1261	7.933	0.044	B₂	0.958
1210	8.266	22.82	B₂	0.958
1200	8.334	1.329	A₁	0.958
1189	8.408	3.037	B₂	0.958
1173	8.525	7.326	A₁	0.958
1119	8.934	10.12	B₂	0.958
1116	8.958	0.2888	A₁	0.958
1106	9.04	3.961	B₂	0.958
1035	9.663	0.9222	A₁	0.958
1030	9.711	1.347	B₂	0.958
1015	9.856	0.1162	B₁	0.958
1013	9.867	0	A₂	0.958
966	10.35	4.807	B₁	0.958
962.7	10.39	0	A₂	0.958
901.6	11.09	0.7485	B₂	0.958
898.1	11.13	15.72	B₁	0.958
868.3	11.52	1.524	A₁	0.958
866.2	11.54	0	A₂	0.958
846.9	11.81	18.59	B₁	0.958
821.4	12.17	0.3811	B₂	0.958
788.9	12.68	0.335	B₁	0.958
753.9	13.26	0	A₂	0.958
742	13.48	183.3	B₁	0.958
727.4	13.75	0	A₂	0.958
696.1	14.37	0.0077	A₁	0.958
677.8	14.75	213.3	B₁	0.958
647.8	15.44	0.2061	A₁	0.958
614.8	16.26	0.5127	B₂	0.958
613.4	16.3	33.25	B₁	0.958
565.6	17.68	1.282	B₂	0.958
525.7	19.02	0.0037	A₁	0.958
517.9	19.31	0	A₂	0.958
516.3	19.37	0.4096	B₁	0.958
482.1	20.74	0	A₂	0.958
416	24.04	0.1721	B₂	0.958
394.4	25.36	6.183	B₁	0.958
380	26.32	0.8746	A₁	0.958
368.1	27.17	0	A₂	0.958
350.4	28.54	0.1049	B₂	0.958
302.9	33.01	5.408	B₁	0.958
242.6	41.22	0.0205	A₁	0.958
220.7	45.3	0	A₂	0.958
124	80.62	9.065	B₁	0.958
97.71	102.3	0	A₂	0.958
39.38	254	1.228	B₁	0.958

Vibrations

Note(s):

9NH2-anthracene cation

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