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	264.3	B_2U	0.958
3065	3.263	159.5	B_1U	0.958
3065	3.263	0	B_3G	0.958
3063	3.265	0	A_G	0.958
3063	3.265	5.077	B_2U	0.958
3049	3.279	0	A_G	0.958
3049	3.28	60.68	B_1U	0.958
3046	3.282	0	B_3G	0.958
3046	3.283	2.207	B_2U	0.958
3046	3.283	16.87	B_1U	0.958
3045	3.284	0	B_3G	0.958
3045	3.285	0	A_G	0.958
3044	3.285	9.037	B_1U	0.958
3043	3.286	9.473	B_2U	0.958
3043	3.286	0	A_G	0.958
3043	3.286	0	B_3G	0.958
3043	3.287	0.2751	B_1U	0.958
1613	6.199	0	B_3G	0.958
1612	6.205	30.48	B_1U	0.958
1599	6.254	4.766	B_2U	0.958
1598	6.259	0	A_G	0.958
1592	6.283	0.1042	B_1U	0.958
1583	6.317	0	B_3G	0.958
1581	6.326	21.44	B_2U	0.958
1580	6.331	0	A_G	0.958
1561	6.405	0	A_G	0.958
1555	6.431	0	B_3G	0.958
1537	6.505	0.4736	B_2U	0.958
1533	6.522	5.419	B_1U	0.958
1524	6.561	0	B_3G	0.958
1517	6.591	20.53	B_1U	0.958
1500	6.668	0	B_3G	0.958
1498	6.674	0.9377	B_1U	0.958
1480	6.756	0	A_G	0.958
1475	6.778	17.97	B_2U	0.958
1466	6.819	0	B_3G	0.958
1456	6.867	0	A_G	0.958
1454	6.879	15.94	B_2U	0.958
1443	6.931	1.282	B_1U	0.958
1433	6.977	1.439	B_1U	0.958
1431	6.99	0.1061	B_2U	0.958
1427	7.005	0	A_G	0.958
1420	7.043	0	B_3G	0.958
1420	7.043	0	A_G	0.958
1415	7.069	0	B_3G	0.958
1406	7.113	7.038	B_2U	0.958
1394	7.176	1.611	B_1U	0.958
1388	7.205	1.497	B_2U	0.958
1387	7.212	0	A_G	0.958
1383	7.23	2.46	B_1U	0.958
1382	7.235	0	B_3G	0.958
1379	7.254	0	B_3G	0.958
1371	7.294	0	A_G	0.958
1368	7.311	2.474	B_2U	0.958
1359	7.359	8.477	B_2U	0.958
1355	7.379	0	A_G	0.958
1343	7.445	0.0152	B_2U	0.958
1335	7.49	0	A_G	0.958
1330	7.517	0	B_3G	0.958
1327	7.537	3.585	B_1U	0.958
1312	7.621	0	A_G	0.958
1301	7.689	40.36	B_1U	0.958
1297	7.713	10.09	B_2U	0.958
1274	7.851	2.237	B_1U	0.958
1272	7.859	0	B_3G	0.958
1267	7.895	0	A_G	0.958
1261	7.931	12.34	B_2U	0.958
1245	8.032	0	B_3G	0.958
1229	8.139	2.543	B_1U	0.958
1227	8.148	0	B_3G	0.958
1223	8.175	0.6275	B_2U	0.958
1209	8.274	0.6849	B_2U	0.958
1208	8.281	0	A_G	0.958
1205	8.299	2.419	B_1U	0.958
1198	8.344	0	A_G	0.958
1181	8.47	0	B_3G	0.958
1174	8.517	0.128	B_2U	0.958
1163	8.601	0	A_G	0.958
1154	8.669	0	B_3G	0.958
1149	8.701	0.9816	B_2U	0.958
1149	8.704	0	A_G	0.958
1140	8.775	10.3	B_1U	0.958
1121	8.921	5.768	B_2U	0.958
1112	8.994	0	B_3G	0.958
1112	8.996	8.179	B_1U	0.958
1057	9.459	0	A_G	0.958
1038	9.631	0	A_G	0.958
1024	9.764	1.619	B_2U	0.958
1012	9.88	0	B_3G	0.958
978.1	10.22	1.807	B_2U	0.958
977.6	10.23	0	B_2G	0.958
977.3	10.23	0	A_U	0.958
973	10.28	0.1221	B_3U	0.958
972.9	10.28	0	B_1G	0.958
951.3	10.51	0	B_2G	0.958
951.2	10.51	0	A_U	0.958
948.7	10.54	0	A_G	0.958
917.7	10.9	0	B_3G	0.958
909.8	10.99	0	B_2G	0.958
907.7	11.02	155.5	B_3U	0.958
895.4	11.17	2.793	B_1U	0.958
887.8	11.26	5.074	B_1U	0.958
884	11.31	0	B_1G	0.958
882.2	11.34	0	A_U	0.958
858.1	11.65	0.4131	B_2U	0.958
856.5	11.68	104.7	B_3U	0.958
846.5	11.81	0	B_1G	0.958
843.2	11.86	0	B_2G	0.958
830.9	12.03	8.992	B_3U	0.958
822.5	12.16	0.0469	B_1U	0.958
808.1	12.37	0	A_U	0.958
804.6	12.43	0	B_2G	0.958
786.7	12.71	0	B_2G	0.958
786.5	12.72	0	B_3G	0.958
784	12.76	0	A_U	0.958
778.6	12.84	0	B_1G	0.958
777.9	12.86	0	A_G	0.958
775	12.9	5.056	B_3U	0.958
774.4	12.91	2.911	B_2U	0.958
772	12.95	0	B_2G	0.958
764.7	13.08	3.997	B_3U	0.958
764.3	13.08	1.818	B_1U	0.958
753	13.28	0	B_1G	0.958
744.6	13.43	0	A_U	0.958
736.2	13.58	0	B_3G	0.958
735.5	13.6	0	A_G	0.958
733.1	13.64	0.8464	B_3U	0.958
699.6	14.29	0	B_2G	0.958
698	14.33	0.9521	B_1U	0.958
695.1	14.39	0	B_1G	0.958
681.9	14.67	0	B_3G	0.958
677.3	14.77	0	A_G	0.958
650.4	15.38	0.3144	B_1U	0.958
649	15.41	0.5786	B_2U	0.958
647.9	15.43	0	A_U	0.958
640.8	15.6	0	B_2G	0.958
638.1	15.67	0.0001	B_1U	0.958
634.1	15.77	0	A_U	0.958
633.1	15.8	0	B_3G	0.958
626.8	15.95	0	B_2G	0.958
602	16.61	17.43	B_3U	0.958
595.9	16.78	0	B_3G	0.958
585.2	17.09	0	A_U	0.958
578.1	17.3	0	B_1G	0.958
572.5	17.47	0	B_2G	0.958
568.3	17.6	0	B_3G	0.958
548.9	18.22	0.1958	B_2U	0.958
538.4	18.57	13.58	B_3U	0.958
534	18.73	0	B_1G	0.958
528.6	18.92	0	A_G	0.958
523.9	19.09	1.331	B_1U	0.958
523.8	19.09	1.197	B_3U	0.958
502.2	19.91	0.3477	B_2U	0.958
491.1	20.36	0	B_1G	0.958
485.8	20.58	0	A_U	0.958
484.6	20.64	1.896	B_1U	0.958
483.6	20.68	0	B_3G	0.958
481.8	20.76	0	B_2G	0.958
456.2	21.92	0	A_G	0.958
449.7	22.24	2.323	B_2U	0.958
412.6	24.24	0	A_G	0.958
405.1	24.68	0.2065	B_3U	0.958
403.9	24.76	8.212	B_2U	0.958
388.9	25.71	0	A_U	0.958
388.4	25.75	2.825	B_3U	0.958
380.6	26.28	0	A_G	0.958
378.4	26.43	0	B_2G	0.958
375.1	26.66	0.0259	B_1U	0.958
369.8	27.04	4.649	B_2U	0.958
354.8	28.19	0	B_3G	0.958
347.2	28.8	0	B_1G	0.958
315.8	31.67	0	A_U	0.958
310.2	32.24	0	B_2G	0.958
284.8	35.11	0	B_1G	0.958
269.6	37.09	0.0932	B_3U	0.958
269.5	37.1	0	B_2G	0.958
268.5	37.24	0	A_U	0.958
249.7	40.04	0	B_3G	0.958
231.7	43.16	0	A_G	0.958
229.5	43.57	0	B_2G	0.958
193.6	51.66	0	B_1G	0.958
193	51.81	2.675	B_3U	0.958
161.7	61.83	4.952	B_1U	0.958
150.8	66.31	0	A_U	0.958
131.3	76.18	0.7151	B_3U	0.958
127.9	78.21	0	B_1G	0.958
99.62	100.4	2.782	B_3U	0.958
84.26	118.7	0	B_2G	0.958
75.9	131.8	0	B_1G	0.958
36.77	272	0	A_U	0.958
29.61	337.8	0.3682	B_3U	0.958

Note(s):

Circumtetracene

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