NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3080	3.247	9.93	A₁	0.958
3080	3.247	132	B₂	0.958
3078	3.249	41.2	A₁	0.958
3077	3.249	1.5	B₂	0.958
3077	3.25	31.2	A₁	0.958
3077	3.25	20.6	B₂	0.958
3062	3.266	2.75	A₁	0.958
3062	3.266	0.473	B₂	0.958
3060	3.267	11.2	A₁	0.958
3059	3.269	1.94	B₂	0.958
3059	3.269	8.5	A₁	0.958
3059	3.269	0.0392	B₂	0.958
3058	3.27	7.68	A₁	0.958
3057	3.271	8.74	B₂	0.958
3057	3.271	0.557	A₁	0.958
3056	3.272	0.0199	B₂	0.958
3054	3.275	10.4	A₁	0.958
3052	3.276	0.253	B₂	0.958
3050	3.279	0.0076	A₁	0.958
1607	6.221	33.2	A₁	0.958
1601	6.245	34.8	B₂	0.958
1601	6.248	35.4	A₁	0.958
1600	6.249	46.4	B₂	0.958
1587	6.301	329	B₂	0.958
1582	6.32	361	B₂	0.958
1581	6.327	1.68	A₁	0.958
1576	6.346	13.3	A₁	0.958
1574	6.352	74.3	A₁	0.958
1566	6.384	259	B₂	0.958
1563	6.398	15.7	A₁	0.958
1548	6.459	7.84	A₁	0.958
1545	6.471	311	B₂	0.958
1534	6.52	18	B₂	0.958
1525	6.558	0.311	A₁	0.958
1501	6.661	30.8	A₁	0.958
1500	6.667	6.8	B₂	0.958
1494	6.693	3.23	A₁	0.958
1489	6.717	13.2	B₂	0.958
1485	6.736	0.0507	B₂	0.958
1477	6.768	23.2	A₁	0.958
1472	6.792	23.5	B₂	0.958
1459	6.856	19.9	A₁	0.958
1454	6.876	0.431	B₂	0.958
1451	6.893	6.53	A₁	0.958
1450	6.895	30.4	B₂	0.958
1441	6.938	16	A₁	0.958
1437	6.958	25.8	B₂	0.958
1428	7.004	13.9	B₂	0.958
1425	7.016	54	B₂	0.958
1424	7.021	1.12	A₁	0.958
1417	7.059	1.54	A₁	0.958
1410	7.092	1.67	A₁	0.958
1409	7.098	0.681	B₂	0.958
1407	7.107	21.4	A₁	0.958
1394	7.174	4.42	B₂	0.958
1393	7.18	2.37	A₁	0.958
1388	7.205	0.467	A₁	0.958
1387	7.209	3.09	B₂	0.958
1383	7.229	0.633	B₂	0.958
1378	7.256	29.8	B₂	0.958
1377	7.264	5.18	A₁	0.958
1369	7.307	10.1	A₁	0.958
1368	7.308	0.186	B₂	0.958
1362	7.341	21.4	B₂	0.958
1360	7.354	8.97	A₁	0.958
1353	7.392	2.66	A₁	0.958
1344	7.438	21.9	B₂	0.958
1342	7.454	70.5	B₂	0.958
1334	7.496	30.6	A₁	0.958
1329	7.522	122	B₂	0.958
1326	7.54	43.7	A₁	0.958
1316	7.601	248	B₂	0.958
1314	7.611	89	A₁	0.958
1286	7.774	114	B₂	0.958
1285	7.779	0.372	A₁	0.958
1279	7.816	31.8	B₂	0.958
1276	7.835	26.9	A₁	0.958
1261	7.928	6.43	A₁	0.958
1249	8.004	12.5	B₂	0.958
1239	8.072	46.2	B₂	0.958
1231	8.122	8.61	A₁	0.958
1227	8.151	2.27	B₂	0.958
1222	8.18	9.23	A₁	0.958
1213	8.242	18.6	B₂	0.958
1209	8.272	0.589	A₁	0.958
1196	8.364	5.39	A₁	0.958
1192	8.388	250	B₂	0.958
1190	8.4	65.2	A₁	0.958
1183	8.453	15.2	B₂	0.958
1176	8.506	140	B₂	0.958
1172	8.531	0.0096	B₂	0.958
1171	8.54	0.357	A₁	0.958
1158	8.636	7.25	B₂	0.958
1153	8.674	1.46	A₁	0.958
1137	8.791	5.1	B₂	0.958
1131	8.839	16	A₁	0.958
1107	9.037	11.1	A₁	0.958
1088	9.192	6.96	A₁	0.958
1073	9.322	2.35	B₂	0.958
1062	9.416	12.9	B₂	0.958
1036	9.654	8.54	A₁	0.958
1022	9.788	2.7	B₂	0.958
1019	9.815	0.304	A₁	0.958
1008	9.923	1.94	B₂	0.958
992.2	10.08	0.0679	B₁	0.958
991.9	10.08	0	A₂	0.958
987.2	10.13	0.0397	B₁	0.958
986.3	10.14	0	A₂	0.958
978.1	10.22	0.0109	B₁	0.958
977.9	10.23	0	A₂	0.958
943.5	10.6	56.9	B₁	0.958
925.1	10.81	0.491	A₁	0.958
922.7	10.84	100	B₁	0.958
918.6	10.89	0.0698	B₂	0.958
912.6	10.96	0	A₂	0.958
909.2	11	0.0013	A₁	0.958
907.5	11.02	40	B₁	0.958
907	11.03	0	A₂	0.958
901.9	11.09	15.7	B₂	0.958
889.2	11.25	0.107	A₁	0.958
875.5	11.42	20.8	B₁	0.958
875.5	11.42	0	A₂	0.958
864.9	11.56	2.71	A₁	0.958
846.8	11.81	0	A₂	0.958
845	11.83	33	B₁	0.958
844.7	11.84	3.28	A₁	0.958
836	11.96	0.789	B₂	0.958
825.9	12.11	0.0134	B₂	0.958
808.2	12.37	35.1	B₁	0.958
802.4	12.46	0	A₂	0.958
801.9	12.47	0.47	A₁	0.958
791.1	12.64	1.41	B₁	0.958
789.3	12.67	0	A₂	0.958
783.3	12.77	0.193	B₁	0.958
778.2	12.85	0	A₂	0.958
777	12.87	0.0002	B₁	0.958
774	12.92	0.0002	B₂	0.958
769.7	12.99	0	A₂	0.958
764.1	13.09	0.656	B₁	0.958
754.2	13.26	0.0118	B₂	0.958
748.3	13.36	4.3	B₁	0.958
739.7	13.52	0	A₂	0.958
736.8	13.57	0.706	A₁	0.958
725.4	13.79	0.001	B₁	0.958
721.1	13.87	14.6	B₂	0.958
718.1	13.93	0	A₂	0.958
706.1	14.16	0.015	B₁	0.958
699.9	14.29	0.127	A₁	0.958
694	14.41	0.0517	A₁	0.958
693.5	14.42	0	A₂	0.958
689.7	14.5	1.21	B₁	0.958
675.7	14.8	0.894	B₂	0.958
671.5	14.89	0.148	B₂	0.958
670.5	14.92	0.113	A₁	0.958
660.7	15.14	0	A₂	0.958
643.3	15.55	0.674	A₁	0.958
628.4	15.91	0.0001	B₂	0.958
624.2	16.02	23.8	B₁	0.958
620.7	16.11	2.01	A₁	0.958
619.1	16.15	0.23	B₁	0.958
616.4	16.22	0	A₂	0.958
614.9	16.26	0.348	B₂	0.958
606.1	16.5	0	A₂	0.958
599.9	16.67	11.4	B₁	0.958
584.5	17.11	0.0533	A₁	0.958
583.1	17.15	0.402	B₂	0.958
575.3	17.38	0	A₂	0.958
575.1	17.39	0.346	B₁	0.958
572.4	17.47	0.683	B₁	0.958
556.4	17.97	0	A₂	0.958
554.2	18.05	0.0466	B₂	0.958
552.3	18.1	0.0781	B₁	0.958
544	18.38	0.431	A₁	0.958
542.6	18.43	0	A₂	0.958
541.7	18.46	3.07	B₂	0.958
528.6	18.92	0.407	A₁	0.958
526.7	18.98	0.063	B₂	0.958
524	19.08	0.0894	B₁	0.958
504.4	19.83	0.292	A₁	0.958
491.4	20.35	2	B₂	0.958
489.8	20.42	2.32	A₁	0.958
486.1	20.57	0	A₂	0.958
464.7	21.52	0	B₁	0.958
454.9	21.98	0.504	B₂	0.958
439.6	22.75	0.53	B₂	0.958
439.6	22.75	0	A₂	0.958
426	23.48	1.3	A₁	0.958
409.2	24.44	0.314	B₁	0.958
392.6	25.47	3.12	B₁	0.958
391.9	25.52	0	A₂	0.958
386.6	25.87	0	A₂	0.958
379	26.38	16.2	B₂	0.958
378.7	26.41	0.975	B₁	0.958
375.7	26.62	0.0065	A₁	0.958
356	28.09	1.85	A₁	0.958
344	29.07	0	A₂	0.958
333.7	29.96	3.54	B₁	0.958
331.8	30.14	0.0963	B₂	0.958
318.1	31.44	0.0004	A₁	0.958
317.1	31.53	0	A₂	0.958
314.5	31.8	2.56	B₁	0.958
307.6	32.51	2.31	B₂	0.958
290.6	34.41	0.0321	B₁	0.958
290.3	34.45	0	A₂	0.958
252.7	39.57	0	A₂	0.958
252.3	39.64	0.282	B₁	0.958
237.7	42.07	4.71	B₂	0.958
235.5	42.47	1.24	A₁	0.958
214	46.73	0.597	B₁	0.958
207.6	48.18	0	A₂	0.958
186.3	53.68	2.31	A₁	0.958
177.7	56.28	0	A₂	0.958
173.4	57.67	2.2	B₁	0.958
167.1	59.83	0.493	B₁	0.958
149.3	66.99	0	A₂	0.958
120.2	83.17	0.543	B₁	0.958
99.11	100.9	0	A₂	0.958
82.04	121.9	0.641	B₁	0.958
72.01	138.9	0	A₂	0.958
63.31	158	3.35	B₁	0.958
34.04	293.8	0	A₂	0.958
30.79	324.8	0.939	B₁	0.958

Vibrations

Note(s):

C57H19+

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