NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3066	3.261	0	A_G	0.958
3066	3.262	221.4	B_2U	0.958
3065	3.263	160.2	B_1U	0.958
3064	3.263	0	B_3G	0.958
3063	3.265	0	A_G	0.958
3063	3.265	5.515	B_2U	0.958
3050	3.278	0	A_G	0.958
3050	3.278	40.64	B_1U	0.958
3047	3.282	0	B_3G	0.958
3047	3.282	0.3609	B_2U	0.958
3045	3.284	16.45	B_1U	0.958
3045	3.284	0	B_3G	0.958
3043	3.286	0	A_G	0.958
3043	3.286	6.593	B_2U	0.958
3043	3.287	1.468	B_1U	0.958
3043	3.287	0	B_3G	0.958
1614	6.194	21.82	B_1U	0.958
1606	6.226	0	B_3G	0.958
1602	6.243	0	A_G	0.958
1594	6.275	10.96	B_2U	0.958
1593	6.279	0	B_3G	0.958
1588	6.298	13.83	B_2U	0.958
1573	6.357	0	A_G	0.958
1568	6.376	0.7407	B_1U	0.958
1552	6.443	0	A_G	0.958
1538	6.501	1.949	B_1U	0.958
1520	6.577	0	B_3G	0.958
1512	6.616	0	B_3G	0.958
1503	6.652	10.59	B_1U	0.958
1482	6.748	5.43	B_2U	0.958
1476	6.775	1.357	B_1U	0.958
1473	6.788	0	A_G	0.958
1464	6.832	0.2617	B_2U	0.958
1442	6.934	0	B_3G	0.958
1435	6.966	10.73	B_2U	0.958
1435	6.97	0	A_G	0.958
1434	6.975	0	B_3G	0.958
1422	7.03	0	A_G	0.958
1421	7.038	0.2858	B_1U	0.958
1413	7.076	1.516	B_1U	0.958
1398	7.155	6.636	B_2U	0.958
1391	7.191	0	A_G	0.958
1389	7.2	0	B_3G	0.958
1379	7.249	0.1866	B_1U	0.958
1379	7.25	0	B_3G	0.958
1373	7.281	3.649	B_2U	0.958
1367	7.316	0	A_G	0.958
1362	7.342	1.9	B_2U	0.958
1349	7.412	0	A_G	0.958
1338	7.473	1.354	B_2U	0.958
1324	7.551	13.93	B_1U	0.958
1322	7.564	0	A_G	0.958
1313	7.615	0	B_3G	0.958
1299	7.698	12.74	B_2U	0.958
1284	7.788	17.18	B_1U	0.958
1278	7.825	0	B_3G	0.958
1263	7.917	9.146	B_2U	0.958
1252	7.987	0	A_G	0.958
1235	8.094	0	B_1U	0.958
1225	8.165	2.507	B_1U	0.958
1224	8.171	0	B_3G	0.958
1209	8.27	0	A_G	0.958
1209	8.27	0.1938	B_2U	0.958
1205	8.297	0	A_G	0.958
1190	8.407	0	B_3G	0.958
1176	8.501	0.109	B_2U	0.958
1157	8.64	8.647	B_1U	0.958
1157	8.647	0	A_G	0.958
1154	8.668	1.253	B_2U	0.958
1147	8.717	6.973	B_2U	0.958
1141	8.765	0	B_3G	0.958
1104	9.054	9.327	B_1U	0.958
1104	9.054	0	B_3G	0.958
1100	9.091	0	A_G	0.958
1048	9.543	0	A_G	0.958
1017	9.832	1.451	B_2U	0.958
977.7	10.23	0	B_2G	0.958
976.9	10.24	0	A_U	0.958
973.6	10.27	0	A_G	0.958
972.7	10.28	0.1409	B_3U	0.958
972.2	10.29	0	B_1G	0.958
953.9	10.48	3.587	B_1U	0.958
953	10.49	0	B_2G	0.958
952.6	10.5	0	A_U	0.958
939.2	10.65	2.427	B_2U	0.958
915.7	10.92	1.857	B_1U	0.958
904.5	11.06	0	B_2G	0.958
903.9	11.06	134.6	B_3U	0.958
898	11.14	0	B_3G	0.958
868.6	11.51	0	B_1G	0.958
862.2	11.6	0	A_U	0.958
849	11.78	101.1	B_3U	0.958
838.6	11.93	0	B_1G	0.958
814.7	12.27	0	B_3G	0.958
812.1	12.31	0	B_2G	0.958
805.1	12.42	0	A_G	0.958
804.4	12.43	0	A_U	0.958
788.3	12.69	0	B_2G	0.958
782.6	12.78	5.509	B_3U	0.958
781	12.8	0	A_U	0.958
773.7	12.92	0	B_1G	0.958
768.6	13.01	0.1316	B_1U	0.958
767.8	13.02	0	B_3G	0.958
764.4	13.08	2.228	B_3U	0.958
763.5	13.1	0	A_G	0.958
759.7	13.16	0	B_2G	0.958
753.9	13.26	2.864	B_2U	0.958
748	13.37	0	B_1G	0.958
714.2	14	1.71	B_1U	0.958
713.4	14.02	2.608	B_3U	0.958
710.7	14.07	0	A_U	0.958
699.9	14.29	0.5379	B_2U	0.958
684.2	14.62	0	B_3G	0.958
656.8	15.23	0.0616	B_1U	0.958
649.2	15.4	0	B_2G	0.958
639.7	15.63	0	B_2G	0.958
638.1	15.67	0	B_3G	0.958
635.8	15.73	0	A_U	0.958
618	16.18	0	B_3G	0.958
612	16.34	0	B_1G	0.958
596.1	16.77	0	B_2G	0.958
572.2	17.48	18.17	B_3U	0.958
570.5	17.53	0.106	B_2U	0.958
568.4	17.59	0.0008	B_1U	0.958
566.5	17.65	0	A_U	0.958
565	17.7	0	A_G	0.958
540.1	18.52	11.46	B_3U	0.958
533.3	18.75	2.322	B_1U	0.958
532.8	18.77	0	B_1G	0.958
505.4	19.79	0.0025	B_3U	0.958
503.2	19.87	0	B_3G	0.958
496.4	20.15	0	A_G	0.958
489.5	20.43	0.8619	B_2U	0.958
486.5	20.55	0	A_U	0.958
480.9	20.79	0	B_2G	0.958
428.5	23.34	0.0905	B_1U	0.958
427.5	23.39	0	A_G	0.958
412.8	24.22	0	B_1G	0.958
411.5	24.3	0	B_3G	0.958
401.2	24.93	9.296	B_2U	0.958
389.4	25.68	0.4893	B_2U	0.958
387.4	25.82	0	A_G	0.958
369.5	27.07	0	B_1G	0.958
365.5	27.36	0	B_2G	0.958
363.6	27.5	0	A_U	0.958
337.9	29.59	0.0697	B_3U	0.958
292.6	34.18	0	B_2G	0.958
283.9	35.23	0	A_U	0.958
278	35.97	0	B_3G	0.958
271	36.9	0	A_G	0.958
259.9	38.48	0	B_2G	0.958
246.2	40.62	3.837	B_3U	0.958
244.8	40.85	0	B_1G	0.958
207.2	48.25	4.359	B_1U	0.958
198.8	50.31	0	A_U	0.958
162.1	61.71	0.1483	B_3U	0.958
148.1	67.51	0	B_1G	0.958
109.2	91.61	0	B_2G	0.958
101.3	98.72	3.006	B_3U	0.958
98.83	101.2	0	B_1G	0.958
45.77	218.5	0	A_U	0.958
41.99	238.2	0.4996	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