NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3066	3.261	0	A_G	0.958
3066	3.262	264	B_2U	0.958
3065	3.263	160	B_1U	0.958
3065	3.263	0	B_3G	0.958
3063	3.265	0	A_G	0.958
3063	3.265	5.08	B_2U	0.958
3049	3.279	0	A_G	0.958
3049	3.28	60.7	B_1U	0.958
3046	3.282	0	B_3G	0.958
3046	3.283	2.21	B_2U	0.958
3046	3.283	16.9	B_1U	0.958
3045	3.284	0	B_3G	0.958
3045	3.285	0	A_G	0.958
3044	3.285	9.04	B_1U	0.958
3043	3.286	9.47	B_2U	0.958
3043	3.286	0	A_G	0.958
3043	3.286	0	B_3G	0.958
3043	3.287	0.275	B_1U	0.958
1613	6.199	0	B_3G	0.958
1612	6.205	30.5	B_1U	0.958
1599	6.254	4.77	B_2U	0.958
1598	6.259	0	A_G	0.958
1592	6.283	0.104	B_1U	0.958
1583	6.317	0	B_3G	0.958
1581	6.326	21.4	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	0.474	B_2U	0.958
1533	6.522	5.42	B_1U	0.958
1524	6.561	0	B_3G	0.958
1517	6.591	20.5	B_1U	0.958
1500	6.668	0	B_3G	0.958
1498	6.674	0.938	B_1U	0.958
1480	6.756	0	A_G	0.958
1475	6.778	18	B_2U	0.958
1466	6.819	0	B_3G	0.958
1456	6.867	0	A_G	0.958
1454	6.879	15.9	B_2U	0.958
1443	6.931	1.28	B_1U	0.958
1433	6.977	1.44	B_1U	0.958
1431	6.99	0.106	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	7.04	B_2U	0.958
1394	7.176	1.61	B_1U	0.958
1388	7.205	1.5	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	2.47	B_2U	0.958
1359	7.359	8.48	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	3.59	B_1U	0.958
1312	7.621	0	A_G	0.958
1301	7.689	40.4	B_1U	0.958
1297	7.713	10.1	B_2U	0.958
1274	7.851	2.24	B_1U	0.958
1272	7.859	0	B_3G	0.958
1267	7.895	0	A_G	0.958
1261	7.931	12.3	B_2U	0.958
1245	8.032	0	B_3G	0.958
1229	8.139	2.54	B_1U	0.958
1227	8.148	0	B_3G	0.958
1223	8.175	0.627	B_2U	0.958
1209	8.274	0.685	B_2U	0.958
1208	8.281	0	A_G	0.958
1205	8.299	2.42	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	0.982	B_2U	0.958
1149	8.704	0	A_G	0.958
1140	8.775	10.3	B_1U	0.958
1121	8.921	5.77	B_2U	0.958
1112	8.994	0	B_3G	0.958
1112	8.996	8.18	B_1U	0.958
1057	9.459	0	A_G	0.958
1038	9.631	0	A_G	0.958
1024	9.764	1.62	B_2U	0.958
1012	9.88	0	B_3G	0.958
978.1	10.22	1.81	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	0.122	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	B_3U	0.958
895.4	11.17	2.79	B_1U	0.958
887.8	11.26	5.07	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	0.413	B_2U	0.958
856.5	11.68	105	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	8.99	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	5.06	B_3U	0.958
774.4	12.91	2.91	B_2U	0.958
772	12.95	0	B_2G	0.958
764.7	13.08	4	B_3U	0.958
764.3	13.08	1.82	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	0.846	B_3U	0.958
699.6	14.29	0	B_2G	0.958
698	14.33	0.952	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	0.314	B_1U	0.958
649	15.41	0.579	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	17.4	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	0.196	B_2U	0.958
538.4	18.57	13.6	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	1.33	B_1U	0.958
523.8	19.09	1.2	B_3U	0.958
502.2	19.91	0.348	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	1.9	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	2.32	B_2U	0.958
412.6	24.24	0	A_G	0.958
405.1	24.68	0.206	B_3U	0.958
403.9	24.76	8.21	B_2U	0.958
388.9	25.71	0	A_U	0.958
388.4	25.75	2.83	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	4.65	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	2.68	B_3U	0.958
161.7	61.83	4.95	B_1U	0.958
150.8	66.31	0	A_U	0.958
131.3	76.18	0.715	B_3U	0.958
127.9	78.21	0	B_1G	0.958
99.62	100.4	2.78	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	0.368	B_3U	0.958

Vibrations

Note(s):

Circumtetracene

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

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, 282, 7, 2025 10.3847/1538-4365/ae1c38 — 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
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