NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3102	3.224	102.2	A₁	0.958
3097	3.229	102.5	B₂	0.958
3095	3.231	10.14	A₁	0.958
3094	3.233	111.2	B₂	0.958
3091	3.235	87.13	A₁	0.958
3091	3.235	1.785	B₂	0.958
3081	3.245	0.4496	A₁	0.958
3074	3.253	19.71	B₂	0.958
3074	3.253	0.2869	A₁	0.958
3065	3.263	8.827	A₁	0.958
3064	3.263	10.98	B₂	0.958
3063	3.265	2.751	B₂	0.958
3052	3.277	38.2	A₁	0.958
3051	3.277	152.8	B₂	0.958
3045	3.284	67.89	A₁	0.958
3033	3.297	3.31	B₂	0.958
3033	3.297	42.12	A₁	0.958
3030	3.3	91.7	A₁	0.958
3030	3.301	110.4	B₂	0.958
3021	3.31	0.1831	B₂	0.958
1604	6.234	0.0637	A₁	0.958
1589	6.293	1.295	B₂	0.958
1588	6.296	4.067	A₁	0.958
1584	6.314	14.75	A₁	0.958
1569	6.373	8.056	A₁	0.958
1569	6.374	395.3	B₂	0.958
1556	6.427	734.8	B₂	0.958
1546	6.469	30.1	B₂	0.958
1546	6.47	23.1	A₁	0.958
1530	6.534	274.2	A₁	0.958
1524	6.561	137.4	B₂	0.958
1512	6.612	35.31	B₂	0.958
1509	6.627	13.46	A₁	0.958
1495	6.689	176	B₂	0.958
1485	6.732	7.191	A₁	0.958
1482	6.749	3.424	A₁	0.958
1471	6.798	628.7	B₂	0.958
1470	6.803	126.6	B₂	0.958
1454	6.877	182.7	B₂	0.958
1451	6.89	6.301	A₁	0.958
1448	6.905	384.8	B₂	0.958
1441	6.938	25.92	A₁	0.958
1428	7.002	177.6	B₂	0.958
1428	7.003	45.23	A₁	0.958
1413	7.076	0.0732	A₁	0.958
1402	7.133	16.44	B₂	0.958
1392	7.182	13.95	B₂	0.958
1381	7.241	6.295	A₁	0.958
1375	7.275	10.19	B₂	0.958
1364	7.331	11.87	A₁	0.958
1357	7.37	0.4814	B₂	0.958
1347	7.424	71.19	B₂	0.958
1345	7.433	26.45	A₁	0.958
1326	7.539	109.1	A₁	0.958
1323	7.559	1.534	A₁	0.958
1320	7.575	204.9	B₂	0.958
1313	7.615	89.53	A₁	0.958
1306	7.655	8.917	A₁	0.958
1305	7.665	425.8	B₂	0.958
1296	7.715	42.63	B₂	0.958
1292	7.742	264.4	A₁	0.958
1281	7.805	82.3	A₁	0.958
1269	7.878	50.65	B₂	0.958
1258	7.948	26.56	A₁	0.958
1255	7.967	390.1	B₂	0.958
1251	7.994	46.67	A₁	0.958
1233	8.11	42.16	A₁	0.958
1233	8.113	0.9859	B₂	0.958
1224	8.169	6.82	A₁	0.958
1217	8.215	354.5	B₂	0.958
1202	8.32	4.306	A₁	0.958
1190	8.403	247.4	B₂	0.958
1186	8.434	0.7258	A₁	0.958
1184	8.446	707.4	B₂	0.958
1177	8.5	0.8753	A₁	0.958
1175	8.512	164	B₂	0.958
1170	8.545	316.3	B₂	0.958
1150	8.697	7.478	A₁	0.958
1132	8.837	9.339	A₁	0.958
1107	9.037	8.727	A₁	0.958
1106	9.044	23.95	B₂	0.958
1100	9.091	0.015	B₂	0.958
1091	9.167	1.003	A₁	0.958
1077	9.281	105.7	B₂	0.958
1051	9.512	2.408	A₁	0.958
1045	9.571	35.66	A₁	0.958
1044	9.577	218.4	B₂	0.958
1021	9.796	7.182	A₁	0.958
1020	9.802	239.3	B₂	0.958
987.4	10.13	28.77	B₂	0.958
956.7	10.45	7.77	B₂	0.958
955.9	10.46	0	A₂	0.958
954.9	10.47	0.0865	B₁	0.958
953.8	10.48	0	A₂	0.958
941.3	10.62	0	A₂	0.958
938.6	10.65	1.154	B₁	0.958
938.1	10.66	6.447	A₁	0.958
917.6	10.9	0	A₂	0.958
916.8	10.91	3.472	B₁	0.958
915.4	10.92	3.354	A₁	0.958
910.5	10.98	0	A₂	0.958
869.3	11.5	47.02	B₂	0.958
855.3	11.69	49.8	B₁	0.958
844.2	11.85	10.98	B₂	0.958
841.6	11.88	0	A₂	0.958
840.3	11.9	0.0002	B₁	0.958
838.6	11.93	0	A₂	0.958
824.4	12.13	22.2	A₁	0.958
823.6	12.14	0.259	B₁	0.958
821.3	12.18	0	A₂	0.958
807.4	12.39	3.377	B₂	0.958
802.8	12.46	0	A₂	0.958
802.7	12.46	7.949	B₁	0.958
779.5	12.83	21.14	B₁	0.958
771.5	12.96	0.4834	A₁	0.958
768.9	13.01	24.69	B₁	0.958
761.4	13.13	0	A₂	0.958
756.1	13.23	49.51	B₂	0.958
750.3	13.33	25.34	B₁	0.958
744.2	13.44	0	A₂	0.958
742.2	13.47	0	A₂	0.958
736.8	13.57	119.1	B₁	0.958
728.1	13.73	0	A₂	0.958
722.6	13.84	0	A₂	0.958
720.6	13.88	28.14	B₁	0.958
711	14.06	2.535	A₁	0.958
697.5	14.34	6.656	B₁	0.958
687.1	14.55	28.51	B₂	0.958
676.1	14.79	0.0119	A₁	0.958
669.7	14.93	0.0354	B₂	0.958
669.5	14.94	0	A₂	0.958
654	15.29	2.122	A₁	0.958
646.4	15.47	5.568	B₂	0.958
638.4	15.66	0.238	B₁	0.958
627.5	15.94	0.0004	A₁	0.958
624.6	16.01	0.0368	B₂	0.958
622.2	16.07	0	A₂	0.958
606.9	16.48	2.232	B₁	0.958
597.5	16.74	0	A₂	0.958
587	17.04	0	A₁	0.958
580.1	17.24	6.787	B₂	0.958
574.8	17.4	0.3404	B₁	0.958
559	17.89	0	A₂	0.958
554	18.05	9.717	B₂	0.958
548.8	18.22	0.0758	B₁	0.958
541	18.49	0.0024	A₁	0.958
531.7	18.81	14.96	B₂	0.958
526.9	18.98	0	A₂	0.958
523.6	19.1	2.349	B₁	0.958
502.5	19.9	0.0053	A₁	0.958
500.7	19.97	0	A₂	0.958
461.8	21.65	2.468	B₁	0.958
459.6	21.76	0.5504	B₂	0.958
455.3	21.96	0.9867	A₁	0.958
453.5	22.05	0	A₂	0.958
445.8	22.43	0	A₂	0.958
432.1	23.14	3.508	B₁	0.958
402.4	24.85	0.9245	A₁	0.958
392.5	25.48	5.861	B₂	0.958
376.8	26.54	5.885	B₂	0.958
358.3	27.91	2.771	B₁	0.958
355.5	28.13	0	A₂	0.958
346.5	28.86	4.873	A₁	0.958
345.7	28.93	80.25	B₂	0.958
341.4	29.29	0	A₂	0.958
306	32.68	0.2655	B₁	0.958
295.9	33.79	0	A₂	0.958
295.9	33.8	0.0777	A₁	0.958
283.6	35.26	53.27	B₂	0.958
272	36.77	0.0346	B₁	0.958
240.9	41.51	0	A₂	0.958
218.5	45.77	0.0147	B₁	0.958
212.2	47.13	0.0379	A₁	0.958
211.3	47.32	6.036	B₂	0.958
182.7	54.75	0.0398	B₁	0.958
161.5	61.92	0	A₂	0.958
132.2	75.62	1.209	A₁	0.958
123.2	81.18	0	A₂	0.958
114.1	87.61	0.2307	B₁	0.958
98.46	101.6	1.345	B₁	0.958
90.73	110.2	0	A₂	0.958
72.55	137.8	0.0003	B₁	0.958
58.85	169.9	0	A₂	0.958
37.91	263.8	0.0001	B₁	0.958
20.6	485.3	0	A₂	0.958
19.54	511.8	0.0122	B₁	0.958

Note(s):

1,2;3,4;5,6;7,8;9,10;12,13-hexabenzoperopyrene anion

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