NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3099	3.227	6.03	?A	0.958
3089	3.238	3.24	?A	0.958
3088	3.238	26.5	?A	0.958
3087	3.24	7.97	?A	0.958
3085	3.242	5.33	?A	0.958
3075	3.252	2.18	?A	0.958
3073	3.254	6.44	?A	0.958
3071	3.256	1.66	?A	0.958
3071	3.256	1.5	?A	0.958
3070	3.257	0.522	?A	0.958
3069	3.258	0.0559	?A	0.958
3015	3.317	14.9	?A	0.958
2966	3.372	5.16	?A	0.958
2914	3.432	1.44	?A	0.958
1607	6.224	0.219	?A	0.958
1580	6.328	2.03	?A	0.958
1567	6.383	2.68	?A	0.958
1555	6.43	529	?A	0.958
1526	6.555	7.93	?A	0.958
1513	6.61	21.4	?A	0.958
1493	6.696	33.8	?A	0.958
1488	6.719	13.3	?A	0.958
1482	6.749	5.87	?A	0.958
1470	6.804	12	?A	0.958
1467	6.817	15.9	?A	0.958
1461	6.845	6.03	?A	0.958
1449	6.903	1.62	?A	0.958
1440	6.945	3.82	?A	0.958
1429	7	0.145	?A	0.958
1415	7.069	30.7	?A	0.958
1406	7.115	17.4	?A	0.958
1396	7.162	8.86	?A	0.958
1391	7.191	7.36	?A	0.958
1377	7.26	25.8	?A	0.958
1358	7.364	264	?A	0.958
1350	7.405	28.6	?A	0.958
1346	7.429	56.5	?A	0.958
1329	7.524	0.524	?A	0.958
1311	7.628	19.7	?A	0.958
1300	7.69	30.7	?A	0.958
1246	8.026	4.84	?A	0.958
1243	8.044	3.09	?A	0.958
1230	8.13	52.9	?A	0.958
1225	8.163	41.6	?A	0.958
1217	8.215	4.55	?A	0.958
1207	8.284	16.7	?A	0.958
1175	8.508	1.24	?A	0.958
1166	8.574	0.193	?A	0.958
1162	8.609	1.55	?A	0.958
1152	8.682	23	?A	0.958
1140	8.769	9.98	?A	0.958
1076	9.291	8.3	?A	0.958
1053	9.495	14.3	?A	0.958
1046	9.564	6.97	?A	0.958
1020	9.805	5.95	?A	0.958
998.2	10.02	0.135	?A	0.958
994.8	10.05	0.0003	?A	0.958
990.5	10.1	0.158	?A	0.958
985.4	10.15	0.51	?A	0.958
976.6	10.24	0.204	?A	0.958
969.4	10.32	0.172	?A	0.958
954.8	10.47	0.958	?A	0.958
905.3	11.05	53.3	?A	0.958
896.4	11.16	0.454	?A	0.958
872.3	11.46	110	?A	0.958
867.2	11.53	36.2	?A	0.958
857.9	11.66	0.764	?A	0.958
832.9	12.01	4.1	?A	0.958
806.7	12.4	2.29	?A	0.958
798.4	12.52	6.77	?A	0.958
786.6	12.71	1.32	?A	0.958
781.4	12.8	26.4	?A	0.958
778.1	12.85	0.0244	?A	0.958
766.8	13.04	15.3	?A	0.958
759.5	13.17	0.187	?A	0.958
744.7	13.43	0.163	?A	0.958
732	13.66	7.11	?A	0.958
674.6	14.82	0.74	?A	0.958
668.9	14.95	0.749	?A	0.958
664.1	15.06	0.186	?A	0.958
652.3	15.33	0.0001	?A	0.958
644.3	15.52	0.21	?A	0.958
631.7	15.83	0.0013	?A	0.958
599.5	16.68	2.1	?A	0.958
567	17.64	13.7	?A	0.958
560.3	17.85	0.556	?A	0.958
538.2	18.58	0.659	?A	0.958
537.3	18.61	9.12	?A	0.958
517.9	19.31	0.116	?A	0.958
498.4	20.06	1.07	?A	0.958
480.6	20.81	1.12	?A	0.958
468	21.37	1.37	?A	0.958
454.9	21.99	1.02	?A	0.958
438.3	22.81	0.265	?A	0.958
432.6	23.12	0.002	?A	0.958
403.7	24.77	1.91	?A	0.958
377	26.53	2.24	?A	0.958
355.6	28.12	0.305	?A	0.958
334.1	29.93	0.355	?A	0.958
290.9	34.37	0.075	?A	0.958
290	34.49	0.0483	?A	0.958
279.9	35.72	0.0178	?A	0.958
271.3	36.85	7.12	?A	0.958
260.2	38.43	0.676	?A	0.958
231.1	43.27	0.0237	?A	0.958
185.8	53.82	0.208	?A	0.958
139.1	71.9	0.168	?A	0.958
138	72.48	2.41	?A	0.958
111.9	89.37	6.76	?A	0.958
86.68	115.4	0.0552	?A	0.958
66.46	150.5	0.539	?A	0.958

Vibrations

Note(s):

Methylcoronene cation mcor+

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