NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3083	3.244	0	A_G	0.958
3082	3.244	104.6	B_2U	0.958
3081	3.245	48.36	B_1U	0.958
3081	3.245	0	B_3G	0.958
3080	3.246	0	A_G	0.958
3080	3.246	0.0348	B_2U	0.958
3065	3.262	0.1044	B_1U	0.958
3065	3.262	0	B_3G	0.958
3064	3.263	0	A_G	0.958
3064	3.264	0.4481	B_2U	0.958
3064	3.264	6.995	B_1U	0.958
3063	3.264	0	B_3G	0.958
3062	3.266	0	A_G	0.958
3061	3.267	6.394	B_1U	0.958
3059	3.269	2.06	B_2U	0.958
3059	3.269	0	B_3G	0.958
1589	6.292	0	A_G	0.958
1586	6.305	95.6	B_1U	0.958
1586	6.305	9.71	B_2U	0.958
1585	6.308	0	B_3G	0.958
1585	6.31	0	A_G	0.958
1568	6.379	175.7	B_2U	0.958
1557	6.421	0	B_3G	0.958
1551	6.448	25.4	B_1U	0.958
1535	6.513	0	A_G	0.958
1522	6.568	31.4	B_1U	0.958
1517	6.591	0	B_3G	0.958
1500	6.668	0	B_3G	0.958
1489	6.717	0.5707	B_1U	0.958
1479	6.761	16.04	B_2U	0.958
1473	6.79	16.07	B_1U	0.958
1472	6.794	0	A_G	0.958
1468	6.814	1.321	B_2U	0.958
1441	6.938	0	A_G	0.958
1438	6.955	0	B_3G	0.958
1431	6.989	0	B_3G	0.958
1430	6.993	0	A_G	0.958
1429	6.998	40.83	B_2U	0.958
1424	7.02	0.8975	B_1U	0.958
1401	7.135	7.649	B_2U	0.958
1401	7.14	0	B_3G	0.958
1399	7.146	28.27	B_1U	0.958
1392	7.185	0	A_G	0.958
1382	7.237	2.767	B_2U	0.958
1377	7.262	0	B_3G	0.958
1371	7.295	0	A_G	0.958
1371	7.296	26.75	B_1U	0.958
1359	7.357	0	A_G	0.958
1356	7.376	84.88	B_2U	0.958
1341	7.455	153.8	B_2U	0.958
1333	7.5	0	A_G	0.958
1329	7.527	13.75	B_1U	0.958
1322	7.562	282.3	B_2U	0.958
1301	7.685	0	B_3G	0.958
1287	7.769	14.03	B_1U	0.958
1278	7.823	0	B_3G	0.958
1248	8.011	0	A_G	0.958
1246	8.026	319	B_2U	0.958
1234	8.102	0.0157	B_1U	0.958
1220	8.198	0	B_3G	0.958
1219	8.205	6.636	B_1U	0.958
1217	8.218	0	A_G	0.958
1213	8.243	58.46	B_2U	0.958
1209	8.271	0	A_G	0.958
1187	8.421	0	B_3G	0.958
1187	8.425	32.66	B_2U	0.958
1166	8.577	2.293	B_2U	0.958
1164	8.588	0	A_G	0.958
1161	8.617	1.913	B_1U	0.958
1155	8.659	17.75	B_2U	0.958
1146	8.726	0	B_3G	0.958
1112	8.99	4.137	B_1U	0.958
1108	9.026	0	A_G	0.958
1103	9.064	0	B_3G	0.958
1054	9.488	0	A_G	0.958
1024	9.769	13.59	B_2U	0.958
995.5	10.05	0	B_2G	0.958
995	10.05	0	A_U	0.958
986	10.14	0.0001	B_3U	0.958
985.3	10.15	0	B_1G	0.958
977.2	10.23	0	A_G	0.958
975	10.26	0	B_2G	0.958
974.2	10.26	0	A_U	0.958
954.1	10.48	0.2022	B_1U	0.958
937.4	10.67	5.104	B_2U	0.958
924.4	10.82	115.4	B_3U	0.958
924.3	10.82	0	B_2G	0.958
916.8	10.91	1.549	B_1U	0.958
899.3	11.12	0	B_3G	0.958
885.6	11.29	0	B_1G	0.958
880	11.36	0	A_U	0.958
861.6	11.61	120.2	B_3U	0.958
852.9	11.72	0	B_1G	0.958
823.8	12.14	0	B_2G	0.958
816.1	12.25	0	A_U	0.958
815	12.27	0	B_3G	0.958
805.2	12.42	0	A_G	0.958
790.6	12.65	6.643	B_3U	0.958
785.4	12.73	0	B_1G	0.958
783.1	12.77	0	B_2G	0.958
779.5	12.83	0	A_U	0.958
771.9	12.95	0	B_3G	0.958
770.5	12.98	2.571	B_1U	0.958
764.7	13.08	0	A_G	0.958
759.7	13.16	2.133	B_3U	0.958
755.6	13.23	0	B_2G	0.958
751.6	13.3	6.611	B_2U	0.958
747.1	13.38	0	B_1G	0.958
714.7	13.99	0.9607	B_1U	0.958
712.1	14.04	0	A_U	0.958
708.4	14.12	2.996	B_3U	0.958
697.2	14.34	3.239	B_2U	0.958
683.3	14.64	0	B_3G	0.958
657.2	15.22	0.5667	B_1U	0.958
651	15.36	0	B_2G	0.958
636.3	15.72	0	B_3G	0.958
635	15.75	0	B_2G	0.958
633.8	15.78	0	A_U	0.958
619	16.16	0	B_3G	0.958
611.1	16.36	0	B_1G	0.958
592.1	16.89	0	B_2G	0.958
572.9	17.45	19.63	B_3U	0.958
569.7	17.55	5.15	B_2U	0.958
569.3	17.57	0	A_U	0.958
567.7	17.62	0.0052	B_1U	0.958
564.7	17.71	0	A_G	0.958
533.4	18.75	1.427	B_1U	0.958
533.1	18.76	16.13	B_3U	0.958
530.8	18.84	0	B_1G	0.958
503.5	19.86	0	B_3G	0.958
496.5	20.14	0	A_G	0.958
494	20.24	0.5515	B_3U	0.958
489.1	20.45	0.0178	B_2U	0.958
479.7	20.85	0	A_U	0.958
474.2	21.09	0	B_2G	0.958
428	23.37	0	A_G	0.958
427.9	23.37	0.1494	B_1U	0.958
414	24.16	0	B_1G	0.958
410.6	24.36	0	B_3G	0.958
400.9	24.95	9.473	B_2U	0.958
388.7	25.73	0	A_G	0.958
387.6	25.8	1.104	B_2U	0.958
372.3	26.86	0	B_1G	0.958
368.7	27.12	0	A_U	0.958
360.1	27.77	0	B_2G	0.958
333	30.03	0.0996	B_3U	0.958
289.2	34.57	0	B_2G	0.958
285.7	35	0	A_U	0.958
276.8	36.13	0	B_3G	0.958
270.5	36.97	0	A_G	0.958
256.4	39.01	0	B_2G	0.958
244.5	40.9	0	B_1G	0.958
243.9	41	3.525	B_3U	0.958
205.9	48.57	2.432	B_1U	0.958
197	50.76	0	A_U	0.958
162.5	61.55	1.242	B_3U	0.958
145.3	68.83	0	B_1G	0.958
109.4	91.43	0	B_2G	0.958
99.2	100.8	6.062	B_3U	0.958
97.83	102.2	0	B_1G	0.958
46.75	213.9	0	A_U	0.958
41.25	242.4	1.016	B_3U	0.958

Vibrations

Note(s):

Circumantracene+

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