NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3144	3.18	0.0102	?A	0.958
3144	3.18	15	?A	0.958
3132	3.192	10.7	?A	0.958
3132	3.193	0.0975	?A	0.958
3130	3.194	0.0127	?A	0.958
3130	3.195	3.98	?A	0.958
3123	3.202	0.223	?A	0.958
3123	3.202	0	?A	0.958
3114	3.211	0.0016	?A	0.958
3113	3.212	0.149	?A	0.958
3111	3.214	0.0927	?A	0.958
3111	3.215	0.0001	?A	0.958
3097	3.229	0.0079	?A	0.958
3096	3.23	6.76	?A	0.958
3096	3.23	0.0074	?A	0.958
3095	3.231	0.0005	?A	0.958
3090	3.237	0.204	?A	0.958
3090	3.237	0.508	?A	0.958
1597	6.262	0.445	?A	0.958
1583	6.316	658	?A	0.958
1580	6.331	2.1	?A	0.958
1576	6.346	5.94	?A	0.958
1572	6.361	0	?A	0.958
1566	6.386	468	?A	0.958
1553	6.438	0.0423	?A	0.958
1546	6.469	251	?A	0.958
1542	6.483	0	?A	0.958
1532	6.528	172	?A	0.958
1515	6.601	56.6	?A	0.958
1513	6.611	0.0565	?A	0.958
1510	6.624	0.0002	?A	0.958
1503	6.653	12.1	?A	0.958
1498	6.675	75.8	?A	0.958
1487	6.725	154	?A	0.958
1464	6.831	0	?A	0.958
1460	6.847	29.8	?A	0.958
1446	6.918	0	?A	0.958
1441	6.939	0.888	?A	0.958
1421	7.038	0	?A	0.958
1420	7.044	0.264	?A	0.958
1408	7.104	114	?A	0.958
1405	7.119	2.5	?A	0.958
1397	7.158	0.64	?A	0.958
1391	7.188	185	?A	0.958
1388	7.207	15.3	?A	0.958
1382	7.238	0	?A	0.958
1369	7.305	101	?A	0.958
1356	7.372	0.306	?A	0.958
1352	7.398	0.376	?A	0.958
1343	7.444	0	?A	0.958
1336	7.484	2.31	?A	0.958
1331	7.514	70.3	?A	0.958
1330	7.516	0.457	?A	0.958
1328	7.532	482	?A	0.958
1317	7.59	0.0017	?A	0.958
1309	7.638	0	?A	0.958
1299	7.7	625	?A	0.958
1295	7.724	0.0011	?A	0.958
1290	7.75	227	?A	0.958
1278	7.827	172	?A	0.958
1272	7.863	0.0001	?A	0.958
1256	7.961	0.532	?A	0.958
1238	8.08	27.9	?A	0.958
1237	8.086	0.0001	?A	0.958
1234	8.105	234	?A	0.958
1231	8.122	0.0089	?A	0.958
1219	8.202	0.0007	?A	0.958
1217	8.215	318	?A	0.958
1186	8.428	0	?A	0.958
1179	8.48	2.82	?A	0.958
1172	8.529	26	?A	0.958
1136	8.807	0.0154	?A	0.958
1131	8.842	2.39	?A	0.958
1113	8.982	0.452	?A	0.958
1104	9.056	0	?A	0.958
1104	9.059	0.665	?A	0.958
1098	9.111	0.0066	?A	0.958
1077	9.281	0	?A	0.958
1077	9.287	18.3	?A	0.958
1075	9.303	366	?A	0.958
1072	9.326	0.129	?A	0.958
1014	9.864	0.512	?A	0.958
1012	9.878	0	?A	0.958
1010	9.896	0.0492	?A	0.958
1009	9.906	0.225	?A	0.958
1008	9.923	1.22	?A	0.958
1004	9.956	0	?A	0.958
1003	9.967	0.0709	?A	0.958
979.9	10.2	1.15	?A	0.958
979.6	10.21	0.0696	?A	0.958
971	10.3	0.0001	?A	0.958
931.6	10.73	0.0333	?A	0.958
930.2	10.75	0.295	?A	0.958
923.9	10.82	21.4	?A	0.958
923.7	10.83	0.0009	?A	0.958
921	10.86	0.0072	?A	0.958
913.3	10.95	0.0021	?A	0.958
912.2	10.96	0	?A	0.958
876.6	11.41	0.0195	?A	0.958
837.8	11.94	0.293	?A	0.958
825	12.12	0	?A	0.958
822.2	12.16	0.0001	?A	0.958
821.7	12.17	4.94	?A	0.958
819.9	12.2	8.27	?A	0.958
819.2	12.21	43.3	?A	0.958
815.7	12.26	0.437	?A	0.958
803.1	12.45	1.34	?A	0.958
793.4	12.6	1.11	?A	0.958
785.4	12.73	268	?A	0.958
782.5	12.78	0.0003	?A	0.958
772.8	12.94	0.0003	?A	0.958
763.9	13.09	0.993	?A	0.958
753.3	13.28	3.2	?A	0.958
741.8	13.48	0	?A	0.958
739.8	13.52	0	?A	0.958
721.8	13.85	19.9	?A	0.958
720.6	13.88	0.0417	?A	0.958
719.6	13.9	2.99	?A	0.958
685.1	14.6	0.0736	?A	0.958
678	14.75	2.16	?A	0.958
674.6	14.82	97.8	?A	0.958
664.8	15.04	4.59	?A	0.958
663.4	15.07	0	?A	0.958
646.5	15.47	1.02	?A	0.958
636.4	15.71	0	?A	0.958
621.2	16.1	1.94	?A	0.958
615.7	16.24	0	?A	0.958
614.9	16.26	0.014	?A	0.958
613.6	16.3	0	?A	0.958
609.8	16.4	0.658	?A	0.958
591	16.92	13.6	?A	0.958
586.6	17.05	106	?A	0.958
549.1	18.21	0.726	?A	0.958
546.5	18.3	0.434	?A	0.958
545.2	18.34	0.604	?A	0.958
537.2	18.61	2.1	?A	0.958
532.9	18.76	0.0001	?A	0.958
518.6	19.28	0.41	?A	0.958
506.2	19.76	0	?A	0.958
501	19.96	1.58	?A	0.958
497.4	20.11	1.63	?A	0.958
478.8	20.89	0	?A	0.958
461.3	21.68	0.432	?A	0.958
461.1	21.69	0.423	?A	0.958
444.2	22.51	0.0001	?A	0.958
436.5	22.91	0.0735	?A	0.958
429.8	23.27	1.86	?A	0.958
393.1	25.44	3.9	?A	0.958
382.4	26.15	0.0195	?A	0.958
366.8	27.26	0.389	?A	0.958
347.4	28.79	0.0017	?A	0.958
342.8	29.17	0.0262	?A	0.958
340	29.41	0.031	?A	0.958
338.2	29.57	0.0004	?A	0.958
320.4	31.21	0	?A	0.958
289.6	34.53	0.0215	?A	0.958
279.2	35.82	0	?A	0.958
271.8	36.8	0.625	?A	0.958
269.6	37.09	4.95	?A	0.958
264.1	37.87	22.5	?A	0.958
260.7	38.36	5.24	?A	0.958
202.3	49.44	0.0074	?A	0.958
201	49.74	0.118	?A	0.958
172.8	57.88	0	?A	0.958
133.5	74.9	0	?A	0.958
124.4	80.39	0.0026	?A	0.958
111.1	89.99	0.258	?A	0.958
109.2	91.54	0.0001	?A	0.958
108.3	92.3	0.0571	?A	0.958
101.4	98.59	0.0101	?A	0.958
82.73	120.9	9.02	?A	0.958
25.59	390.8	0.0095	?A	0.958
16.4	609.9	0	?A	0.958
13.97	715.9	0.0052	?A	0.958

Vibrations

Note(s):

C42h18p

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