NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3099	3.227	0.3176	A₁	0.958
3099	3.227	2.169	B₂	0.958
3096	3.23	2.003	A₁	0.958
3096	3.23	0.0078	B₂	0.958
3096	3.23	4.016	A₁	0.958
3096	3.23	1.224	B₂	0.958
3084	3.243	1.755	A₁	0.958
3084	3.243	0.0534	B₂	0.958
3083	3.243	1.442	A₁	0.958
3083	3.243	0.4944	B₂	0.958
3081	3.245	2.256	A₁	0.958
3081	3.245	1.038	B₂	0.958
3076	3.251	1.976	A₁	0.958
3075	3.252	0.2737	B₂	0.958
3074	3.253	2.601	A₁	0.958
3072	3.256	0.2073	B₂	0.958
3069	3.259	2.316	A₁	0.958
1604	6.234	91.99	A₁	0.958
1584	6.312	58.33	B₂	0.958
1580	6.328	231.3	A₁	0.958
1569	6.372	725.4	A₁	0.958
1561	6.407	132.7	B₂	0.958
1555	6.432	173.2	B₂	0.958
1552	6.442	82.33	A₁	0.958
1541	6.49	0.0473	A₁	0.958
1534	6.52	22.97	B₂	0.958
1531	6.532	199.1	A₁	0.958
1523	6.565	48.42	B₂	0.958
1514	6.605	173.8	B₂	0.958
1513	6.608	3.399	A₁	0.958
1498	6.675	0.3694	B₂	0.958
1487	6.725	86.85	A₁	0.958
1482	6.747	0.0704	B₂	0.958
1472	6.796	180.1	A₁	0.958
1469	6.808	3.416	B₂	0.958
1458	6.86	123.2	A₁	0.958
1456	6.868	5.896	B₂	0.958
1447	6.912	193.1	A₁	0.958
1437	6.958	84.71	A₁	0.958
1435	6.967	21.74	B₂	0.958
1429	6.996	32.92	B₂	0.958
1428	7.005	9.257	A₁	0.958
1426	7.011	14.42	B₂	0.958
1418	7.052	22.55	A₁	0.958
1402	7.132	9.148	A₁	0.958
1402	7.134	130.6	B₂	0.958
1393	7.177	6.375	B₂	0.958
1386	7.213	34.73	B₂	0.958
1384	7.228	40.92	A₁	0.958
1376	7.268	77.92	B₂	0.958
1371	7.293	31.2	A₁	0.958
1369	7.306	114.3	A₁	0.958
1364	7.333	61.13	B₂	0.958
1361	7.345	177.8	B₂	0.958
1351	7.402	115.3	A₁	0.958
1347	7.422	9.504	A₁	0.958
1343	7.444	97.02	A₁	0.958
1342	7.453	324.4	B₂	0.958
1321	7.569	38.55	B₂	0.958
1318	7.588	47.48	B₂	0.958
1310	7.632	5.45	B₂	0.958
1305	7.663	1.587	A₁	0.958
1278	7.826	6.336	A₁	0.958
1257	7.956	10.59	A₁	0.958
1254	7.973	4.269	B₂	0.958
1249	8.004	60.18	A₁	0.958
1239	8.071	0.623	B₂	0.958
1233	8.107	18.18	A₁	0.958
1232	8.118	55.24	B₂	0.958
1230	8.128	5.1	A₁	0.958
1214	8.236	164.5	B₂	0.958
1203	8.312	1.622	A₁	0.958
1200	8.336	45.09	B₂	0.958
1197	8.355	1.297	A₁	0.958
1188	8.419	82.98	B₂	0.958
1178	8.487	4.072	A₁	0.958
1177	8.495	17.64	B₂	0.958
1157	8.645	20	A₁	0.958
1149	8.706	7.9	B₂	0.958
1144	8.744	0.8614	B₂	0.958
1118	8.948	20.83	A₁	0.958
1099	9.096	57.66	A₁	0.958
1099	9.103	42.28	B₂	0.958
1074	9.307	48.95	B₂	0.958
1057	9.457	0.0143	A₁	0.958
1036	9.649	37.49	B₂	0.958
1017	9.833	0.0131	B₁	0.958
1016	9.84	0	A₂	0.958
1009	9.907	0.0722	B₁	0.958
1004	9.96	0	A₂	0.958
1003	9.967	0.0577	B₁	0.958
1000	9.997	0	A₂	0.958
978.9	10.22	4.563	A₁	0.958
977.4	10.23	52.25	B₂	0.958
960.6	10.41	92.95	B₁	0.958
955.8	10.46	39.21	B₁	0.958
952.2	10.5	1.595	A₁	0.958
938	10.66	0	A₂	0.958
931.4	10.74	28.25	B₁	0.958
919.6	10.87	3.291	A₁	0.958
915.3	10.93	0	A₂	0.958
903.2	11.07	0.9477	B₂	0.958
883.8	11.31	0.0287	A₁	0.958
868.3	11.52	66.82	B₁	0.958
862.8	11.59	0	A₂	0.958
850.6	11.76	18.23	B₂	0.958
839	11.92	0	A₂	0.958
837.9	11.94	2.597	A₁	0.958
832.3	12.02	8.165	B₂	0.958
828.7	12.07	31.94	B₁	0.958
806.6	12.4	9.54	B₁	0.958
805.1	12.42	0	A₂	0.958
770.7	12.98	13.83	B₂	0.958
769.5	12.99	0.7561	B₁	0.958
765.5	13.06	0	A₂	0.958
764.2	13.09	0.5294	B₁	0.958
762.4	13.12	0.1118	A₁	0.958
759.2	13.17	0	A₂	0.958
758.7	13.18	0.2783	B₂	0.958
753.7	13.27	0.8903	B₁	0.958
744.5	13.43	0.2581	A₁	0.958
716.8	13.95	5.582	B₁	0.958
716.2	13.96	0	A₂	0.958
715.4	13.98	0.6271	B₂	0.958
709.2	14.1	5.3	B₁	0.958
702.9	14.23	0.0231	A₁	0.958
698	14.33	0	A₂	0.958
669.3	14.94	3.752	B₂	0.958
667.6	14.98	0.0657	B₁	0.958
662.1	15.1	6.628	A₁	0.958
645.8	15.49	3.39	B₂	0.958
626.6	15.96	2.216	A₁	0.958
624.3	16.02	0	A₂	0.958
617.2	16.2	0.0178	B₁	0.958
614.8	16.27	4.212	A₁	0.958
608.9	16.42	19.8	B₁	0.958
602.1	16.61	0	A₂	0.958
601.4	16.63	1.984	B₂	0.958
574	17.42	0	A₂	0.958
568.8	17.58	52.11	B₂	0.958
565.9	17.67	20.27	B₁	0.958
562.2	17.79	0	A₂	0.958
560.2	17.85	0.955	A₁	0.958
557.8	17.93	22.19	B₂	0.958
545.4	18.33	0.2367	B₁	0.958
541.7	18.46	1.93	A₁	0.958
538.4	18.57	0.0147	B₁	0.958
518.7	19.28	4.525	B₂	0.958
515.1	19.41	0.0229	A₁	0.958
514	19.46	0	A₂	0.958
498.4	20.06	10.85	B₂	0.958
476.9	20.97	0.008	B₁	0.958
468.1	21.36	1.2	A₁	0.958
465.4	21.49	0.1725	B₂	0.958
444.2	22.51	0	A₂	0.958
439.3	22.76	0.0994	B₁	0.958
422.4	23.67	2.401	B₂	0.958
416.1	24.03	0.5921	A₁	0.958
397.1	25.18	0	A₂	0.958
383.4	26.08	0.8899	A₁	0.958
374.7	26.69	0.0841	B₁	0.958
366.4	27.29	0	A₂	0.958
363.8	27.49	2.793	B₁	0.958
355	28.17	1.213	B₂	0.958
347.5	28.78	0	A₂	0.958
340.3	29.38	0.0285	A₁	0.958
320.3	31.22	4.025	B₁	0.958
304.7	32.81	5.655	B₂	0.958
298.1	33.55	2	B₁	0.958
297.8	33.58	0	A₂	0.958
267.1	37.44	3.121	A₁	0.958
254.4	39.31	6.552	B₁	0.958
253.2	39.5	1.563	B₂	0.958
249.4	40.1	0	A₂	0.958
230.3	43.43	0.43	A₁	0.958
222.3	44.98	1.564	B₁	0.958
211.9	47.19	0	A₂	0.958
176.4	56.69	0	A₂	0.958
169.7	58.92	0.2971	B₁	0.958
145.5	68.74	0.25	B₁	0.958
126.3	79.2	0	A₂	0.958
108.2	92.42	1.137	B₁	0.958
86.25	115.9	0	A₂	0.958
63.56	157.3	12.43	B₁	0.958
44.66	223.9	1.829	B₁	0.958
44.56	224.4	0	A₂	0.958

Vibrations

Note(s):

Singlet

You are kindly asked to consider the following references for citation when using the database:

C.W. Bauschlicher, Jr., A. Ricca, C. Boersma, L.J. Allamandola, "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
C. Boersma, C.W. Bauschlicher, Jr., A. Ricca, A.L. Mattioda, J. Cami, E. Peeters, F. Sánchez de Armas, G. Puerta Saborido, D.M. Hudgins, and L.J. Allamandola, "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