NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3081	3.246	0	A_G	0.958
3081	3.246	148.3	B_2U	0.958
3080	3.247	61.3	B_1U	0.958
3080	3.247	0	B_3G	0.958
3078	3.248	0	A_G	0.958
3078	3.248	0.9367	B_2U	0.958
3063	3.265	0.274	B_1U	0.958
3063	3.265	0	B_3G	0.958
3063	3.265	0	A_G	0.958
3062	3.266	0.0499	B_2U	0.958
3062	3.266	16.49	B_1U	0.958
3061	3.266	0	B_3G	0.958
3061	3.267	0	A_G	0.958
3061	3.267	1.391	B_1U	0.958
3059	3.269	5.451	B_2U	0.958
3059	3.269	0	B_3G	0.958
3057	3.271	0	A_G	0.958
3057	3.271	1.079	B_1U	0.958
1598	6.257	0	B_3G	0.958
1592	6.282	31.61	B_1U	0.958
1590	6.288	0	A_G	0.958
1590	6.29	96.69	B_2U	0.958
1579	6.334	7.258	B_1U	0.958
1577	6.34	0	A_G	0.958
1570	6.368	200.7	B_2U	0.958
1563	6.396	0	A_G	0.958
1560	6.409	0	B_3G	0.958
1542	6.484	0	B_3G	0.958
1525	6.56	9.695	B_1U	0.958
1523	6.566	3.258	B_2U	0.958
1513	6.611	0	B_3G	0.958
1509	6.628	1.221	B_1U	0.958
1497	6.682	4.29	B_1U	0.958
1490	6.713	0	B_3G	0.958
1479	6.759	0	A_G	0.958
1477	6.773	43.8	B_2U	0.958
1464	6.829	0	B_3G	0.958
1459	6.853	0	A_G	0.958
1450	6.896	89.81	B_2U	0.958
1436	6.965	0.3681	B_1U	0.958
1436	6.966	0.024	B_2U	0.958
1434	6.975	0	A_G	0.958
1430	6.995	5.407	B_1U	0.958
1423	7.025	0	B_3G	0.958
1416	7.063	0	A_G	0.958
1413	7.076	0	B_3G	0.958
1410	7.091	24.82	B_2U	0.958
1392	7.183	0	A_G	0.958
1391	7.187	0.0169	B_1U	0.958
1391	7.188	0	B_3G	0.958
1386	7.213	0.1916	B_2U	0.958
1378	7.254	0.4664	B_2U	0.958
1377	7.26	0	B_3G	0.958
1371	7.294	0.2308	B_1U	0.958
1370	7.299	0	A_G	0.958
1362	7.34	0	A_G	0.958
1359	7.359	76.35	B_2U	0.958
1339	7.469	0	A_G	0.958
1338	7.475	41.8	B_2U	0.958
1334	7.497	0	B_3G	0.958
1327	7.538	0	A_G	0.958
1321	7.571	802.2	B_2U	0.958
1320	7.576	25.76	B_1U	0.958
1299	7.7	31.21	B_1U	0.958
1276	7.84	1.047	B_1U	0.958
1273	7.853	0	B_3G	0.958
1257	7.958	0	A_G	0.958
1256	7.959	109.5	B_2U	0.958
1248	8.015	0	B_3G	0.958
1224	8.17	0	B_3G	0.958
1224	8.171	0.2763	B_1U	0.958
1221	8.188	228.3	B_2U	0.958
1213	8.242	0	A_G	0.958
1211	8.258	172.9	B_2U	0.958
1200	8.332	7.666	B_1U	0.958
1200	8.336	0	A_G	0.958
1183	8.453	0	B_3G	0.958
1183	8.455	28.8	B_2U	0.958
1169	8.557	0	A_G	0.958
1161	8.611	0.2117	B_2U	0.958
1158	8.632	0	B_3G	0.958
1157	8.643	0	A_G	0.958
1143	8.748	8.47	B_1U	0.958
1128	8.867	24.34	B_2U	0.958
1117	8.951	0	B_3G	0.958
1114	8.98	1.795	B_1U	0.958
1064	9.402	0	A_G	0.958
1043	9.59	0	A_G	0.958
1030	9.712	23.37	B_2U	0.958
1014	9.862	0	B_3G	0.958
993.5	10.07	0	B_2G	0.958
993.4	10.07	0	A_U	0.958
985	10.15	0.0044	B_3U	0.958
984.9	10.15	0	B_1G	0.958
981.5	10.19	0.973	B_2U	0.958
972.6	10.28	0	B_2G	0.958
972.3	10.28	0	A_U	0.958
949.3	10.53	0	A_G	0.958
928.2	10.77	0	B_2G	0.958
926.7	10.79	130.6	B_3U	0.958
918.7	10.88	0	B_3G	0.958
900.1	11.11	0	B_1G	0.958
898.5	11.13	0	A_U	0.958
895.8	11.16	4.199	B_1U	0.958
886.4	11.28	3.703	B_1U	0.958
870.6	11.49	112.3	B_3U	0.958
860.5	11.62	6.313	B_2U	0.958
860.2	11.63	0	B_2G	0.958
858.6	11.65	0	B_1G	0.958
847.3	11.8	19.45	B_3U	0.958
826.3	12.1	0.1427	B_1U	0.958
817.8	12.23	0	A_U	0.958
813.9	12.29	0	B_2G	0.958
788.3	12.69	0	B_3G	0.958
787.3	12.7	0	B_1G	0.958
785.3	12.73	0	B_2G	0.958
785.2	12.74	7.761	B_3U	0.958
782.2	12.78	0	A_U	0.958
776.7	12.88	0	A_G	0.958
774.2	12.92	4.207	B_2U	0.958
770.6	12.98	0	B_2G	0.958
766.1	13.05	8.307	B_1U	0.958
762.2	13.12	3.734	B_3U	0.958
754.2	13.26	0	B_1G	0.958
742.7	13.46	0	A_U	0.958
738.9	13.53	0	B_3G	0.958
735.8	13.59	0	A_G	0.958
732.5	13.65	1.007	B_3U	0.958
701.1	14.26	0	B_2G	0.958
698.1	14.33	1.474	B_1U	0.958
691.3	14.47	0	B_1G	0.958
680.9	14.69	0	B_3G	0.958
677.5	14.76	0	A_G	0.958
651.3	15.35	0.8203	B_1U	0.958
649.6	15.39	0	A_U	0.958
646.9	15.46	4.186	B_2U	0.958
639.1	15.65	0	B_2G	0.958
636.2	15.72	0.0012	B_1U	0.958
633.5	15.78	0	B_3G	0.958
632.5	15.81	0	A_U	0.958
624.6	16.01	0	B_2G	0.958
601.6	16.62	20.45	B_3U	0.958
595.9	16.78	0	B_3G	0.958
581.9	17.18	0	A_U	0.958
577.7	17.31	0	B_1G	0.958
574.8	17.4	0	B_2G	0.958
568.9	17.58	0	B_3G	0.958
548.5	18.23	0.3963	B_2U	0.958
534	18.73	19.01	B_3U	0.958
533.3	18.75	0	B_1G	0.958
528.6	18.92	0	A_G	0.958
525	19.05	1.784	B_1U	0.958
521.8	19.16	0.2702	B_3U	0.958
502.4	19.91	4.514	B_2U	0.958
484.5	20.64	1.857	B_1U	0.958
483.4	20.69	0	B_3G	0.958
481.7	20.76	0	B_1G	0.958
481	20.79	0	A_U	0.958
477.4	20.95	0	B_2G	0.958
456.6	21.9	0	A_G	0.958
449.8	22.23	1.085	B_2U	0.958
413.1	24.21	0	A_G	0.958
407.5	24.54	0.0059	B_3U	0.958
404	24.75	12.76	B_2U	0.958
392.4	25.48	3.777	B_3U	0.958
386.6	25.87	0	B_2G	0.958
383.3	26.09	0	A_U	0.958
381.8	26.19	0	A_G	0.958
375.3	26.65	0.2429	B_1U	0.958
368.4	27.15	0.0002	B_2U	0.958
353.8	28.27	0	B_3G	0.958
343.8	29.09	0	B_1G	0.958
318.5	31.4	0	A_U	0.958
308.7	32.39	0	B_2G	0.958
283.1	35.33	0	B_1G	0.958
269.4	37.12	0.1844	B_3U	0.958
268.2	37.28	0	B_2G	0.958
268.1	37.3	0	A_U	0.958
249.7	40.05	0	B_3G	0.958
231.4	43.22	0	A_G	0.958
227.2	44.02	0	B_2G	0.958
193.8	51.59	0	B_1G	0.958
191.8	52.13	2.093	B_3U	0.958
160.2	62.41	4.505	B_1U	0.958
150.4	66.47	0	A_U	0.958
131.4	76.09	2.557	B_3U	0.958
125.9	79.4	0	B_1G	0.958
97.81	102.2	5.27	B_3U	0.958
84.76	118	0	B_2G	0.958
75.27	132.9	0	B_1G	0.958
37.54	266.4	0	A_U	0.958
29.4	340.2	0.7058	B_3U	0.958

Vibrations

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