NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3105	3.221	0.925	A₁	0.958
3091	3.235	0.0114	A₁	0.958
3091	3.236	2.91	B₂	0.958
3082	3.245	0.262	B₂	0.958
3079	3.248	0.126	A₁	0.958
3079	3.248	0.0733	A₁	0.958
3077	3.25	0.129	B₂	0.958
3076	3.251	0.547	A₁	0.958
3074	3.253	3.19	B₂	0.958
1601	6.246	2.8	A₁	0.958
1543	6.479	0.904	B₂	0.958
1529	6.541	19.5	A₁	0.958
1523	6.566	204	B₂	0.958
1494	6.692	6.5	A₁	0.958
1470	6.801	2.32	B₂	0.958
1452	6.889	30.1	A₁	0.958
1434	6.971	25.8	A₁	0.958
1430	6.991	5.85	B₂	0.958
1412	7.084	43	B₂	0.958
1388	7.204	0.224	A₁	0.958
1363	7.338	5.11	B₂	0.958
1338	7.475	112	B₂	0.958
1331	7.51	4.02	A₁	0.958
1276	7.839	23.2	B₂	0.958
1255	7.97	77.9	A₁	0.958
1244	8.037	17.8	A₁	0.958
1233	8.11	0.105	B₂	0.958
1214	8.238	16.6	B₂	0.958
1191	8.395	8.08	B₂	0.958
1157	8.64	1.7	B₂	0.958
1148	8.708	0.186	A₁	0.958
1136	8.8	2.76	B₂	0.958
1125	8.885	5.75	A₁	0.958
1080	9.256	7.84	A₁	0.958
1012	9.878	0.0004	B₁	0.958
997.8	10.02	0	A₂	0.958
992.4	10.08	50.4	A₁	0.958
991.1	10.09	0.145	B₁	0.958
978	10.22	24.8	B₂	0.958
944.5	10.59	0	A₂	0.958
927.5	10.78	0	A₂	0.958
918.8	10.88	35.7	B₁	0.958
847.5	11.8	60.1	B₁	0.958
817.6	12.23	1.86	A₁	0.958
812.9	12.3	0	A₂	0.958
800.1	12.5	2.12	B₁	0.958
796.6	12.55	6.09	A₁	0.958
762.8	13.11	2.27	B₁	0.958
740.5	13.51	1.86	B₂	0.958
689.3	14.51	41.7	B₁	0.958
667.2	14.99	1.8	A₁	0.958
649.4	15.4	0	A₂	0.958
584.3	17.11	0.015	A₁	0.958
564.8	17.7	2.34	B₁	0.958
551.4	18.14	2.85	B₂	0.958
494.6	20.22	0.145	B₂	0.958
494.4	20.22	2.54	A₁	0.958
490.6	20.38	0	A₂	0.958
476	21.01	5.97	B₁	0.958
473.5	21.12	0.178	B₁	0.958
458.3	21.82	0.361	B₂	0.958
402.9	24.82	0.536	A₁	0.958
346.6	28.86	0.0115	B₂	0.958
336.6	29.71	0	A₂	0.958
252.7	39.58	2.95	B₁	0.958
213.6	46.82	0	A₂	0.958
196.6	50.86	10.2	B₁	0.958
140.6	71.14	0	A₂	0.958
100.7	99.3	0.0002	B₁	0.958

Vibrations

Note(s):

2-azapyrene cation

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