NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3107	3.219	0	A_G	0.958
3107	3.219	13.65	B_2U	0.958
3106	3.22	59.51	B_1U	0.958
3105	3.22	0	B_3G	0.958
3092	3.235	0	A_G	0.958
3091	3.235	15.01	B_2U	0.958
3091	3.236	18.71	B_1U	0.958
3091	3.236	0	B_3G	0.958
3081	3.245	0	A_G	0.958
3081	3.245	150	B_2U	0.958
3080	3.247	19.18	B_1U	0.958
3080	3.247	0	B_3G	0.958
3079	3.248	0	A_G	0.958
3079	3.248	0.2564	B_2U	0.958
3067	3.26	0.3754	B_1U	0.958
3067	3.26	0	B_3G	0.958
3067	3.261	0	A_G	0.958
3067	3.261	4.482	B_2U	0.958
3061	3.267	0.793	B_1U	0.958
3061	3.267	0	B_3G	0.958
3061	3.267	0	A_G	0.958
3059	3.269	4.883	B_1U	0.958
1613	6.201	0	A_G	0.958
1613	6.201	30.17	B_2U	0.958
1585	6.31	57.14	B_1U	0.958
1584	6.312	0	B_3G	0.958
1577	6.343	3.086	B_1U	0.958
1571	6.367	0	A_G	0.958
1570	6.368	91.5	B_2U	0.958
1564	6.395	0	B_3G	0.958
1536	6.509	0	B_3G	0.958
1536	6.512	203.4	B_1U	0.958
1529	6.542	0	A_G	0.958
1516	6.598	445.7	B_2U	0.958
1511	6.617	0	A_G	0.958
1498	6.674	0	B_3G	0.958
1498	6.676	2.199	B_1U	0.958
1488	6.719	254.1	B_2U	0.958
1480	6.758	0	B_3G	0.958
1460	6.848	65.36	B_2U	0.958
1458	6.857	0	A_G	0.958
1446	6.915	0.1175	B_1U	0.958
1439	6.947	0	A_G	0.958
1439	6.95	41.71	B_2U	0.958
1433	6.981	17.56	B_1U	0.958
1432	6.984	0	B_3G	0.958
1413	7.075	0	B_3G	0.958
1400	7.142	163.6	B_2U	0.958
1398	7.152	0	A_G	0.958
1382	7.238	1058	B_2U	0.958
1377	7.263	74.04	B_1U	0.958
1354	7.383	0	A_G	0.958
1353	7.392	0	B_3G	0.958
1349	7.415	829.2	B_2U	0.958
1340	7.464	15.51	B_1U	0.958
1328	7.53	0	A_G	0.958
1323	7.556	0.0859	B_2U	0.958
1323	7.559	1.863	B_1U	0.958
1316	7.598	0	A_G	0.958
1312	7.62	0	B_3G	0.958
1294	7.729	406.8	B_2U	0.958
1290	7.755	0	B_3G	0.958
1285	7.782	0.1566	B_1U	0.958
1284	7.787	0	A_G	0.958
1267	7.895	846.2	B_2U	0.958
1263	7.918	0	A_G	0.958
1263	7.918	0	B_3G	0.958
1244	8.036	26.97	B_1U	0.958
1225	8.162	176.2	B_1U	0.958
1222	8.18	61.67	B_2U	0.958
1221	8.19	0	A_G	0.958
1217	8.217	0	B_3G	0.958
1216	8.223	312.7	B_2U	0.958
1205	8.3	0	B_3G	0.958
1197	8.355	0	A_G	0.958
1195	8.368	0.0521	B_1U	0.958
1193	8.386	265.3	B_2U	0.958
1190	8.401	0	B_3G	0.958
1166	8.575	0	A_G	0.958
1166	8.577	105.2	B_2U	0.958
1115	8.97	0	B_3G	0.958
1113	8.988	2.521	B_1U	0.958
1090	9.177	0	A_G	0.958
1089	9.181	1.132	B_2U	0.958
1085	9.217	0	B_3G	0.958
1074	9.307	0.4548	B_1U	0.958
1060	9.43	0	A_G	0.958
1057	9.461	1.53	B_2U	0.958
996.1	10.04	0	B_2G	0.958
996.1	10.04	0	A_U	0.958
995.6	10.04	5.61	B_1U	0.958
994.8	10.05	0	B_3G	0.958
989.5	10.11	3.238	B_3U	0.958
989.4	10.11	0	B_1G	0.958
979.7	10.21	0	B_2G	0.958
979.6	10.21	0	A_U	0.958
932.3	10.73	50.05	B_3U	0.958
929.5	10.76	0	B_2G	0.958
915	10.93	0	B_1G	0.958
914.4	10.94	2.558	B_2U	0.958
912.6	10.96	38.29	B_3U	0.958
909.9	10.99	0.7291	B_1U	0.958
907	11.03	0	A_U	0.958
903.9	11.06	0	B_2G	0.958
903.5	11.07	0	B_3G	0.958
889.3	11.24	0	A_G	0.958
887.8	11.26	0	B_1G	0.958
887.7	11.27	0	A_U	0.958
857.3	11.67	0	B_2G	0.958
850.1	11.76	5.699	B_3U	0.958
835.3	11.97	148.4	B_3U	0.958
835.3	11.97	20.48	B_2U	0.958
835.2	11.97	0	B_1G	0.958
823.5	12.14	0	A_U	0.958
822.5	12.16	0	B_2G	0.958
801.6	12.48	0.1209	B_1U	0.958
793.7	12.6	0	A_G	0.958
769.3	13	0	B_1G	0.958
769.2	13	27.04	B_3U	0.958
766.2	13.05	0	B_2G	0.958
766	13.06	0	A_U	0.958
765.8	13.06	1.619	B_2U	0.958
758.6	13.18	0	A_G	0.958
738.1	13.55	0	B_3G	0.958
730.6	13.69	0	B_2G	0.958
721.1	13.87	0.622	B_1U	0.958
717.8	13.93	0	A_U	0.958
710.9	14.07	0	B_2G	0.958
705.7	14.17	0	B_1G	0.958
704.9	14.19	66.06	B_3U	0.958
695.5	14.38	0	B_3G	0.958
679.9	14.71	0	A_U	0.958
654.4	15.28	2.696	B_1U	0.958
648.1	15.43	0.8648	B_2U	0.958
642.7	15.56	0	A_G	0.958
610.8	16.37	0	B_2G	0.958
602.8	16.59	0	B_3G	0.958
596.5	16.76	0	A_U	0.958
572.6	17.46	0.0002	B_1U	0.958
568.1	17.6	1.635	B_3U	0.958
567.5	17.62	0	B_1G	0.958
566.2	17.66	0	B_3G	0.958
562.2	17.79	0	A_G	0.958
553.9	18.05	126	B_2U	0.958
551.9	18.12	0	A_G	0.958
549.2	18.21	0	B_2G	0.958
548.4	18.24	0	A_U	0.958
507.5	19.7	0	B_3G	0.958
506.5	19.74	0.7397	B_1U	0.958
485	20.62	0	B_1G	0.958
484.7	20.63	1.138	B_3U	0.958
453.2	22.06	0	B_3G	0.958
445.5	22.45	0	B_2G	0.958
441.9	22.63	13.33	B_2U	0.958
440.2	22.72	5.943	B_1U	0.958
437.6	22.85	12.08	B_3U	0.958
432.1	23.14	0	A_U	0.958
430.6	23.22	0	B_1G	0.958
412.6	24.24	0	A_G	0.958
408.8	24.46	2.805	B_3U	0.958
378	26.46	0	B_1G	0.958
377.5	26.49	0.1573	B_2U	0.958
373.8	26.75	0	A_G	0.958
350.5	28.53	0	B_3G	0.958
345.3	28.96	0	B_2G	0.958
321.6	31.1	0.0074	B_2U	0.958
287.3	34.81	0	A_U	0.958
283.2	35.31	4.707	B_3U	0.958
269.3	37.13	0	B_2G	0.958
249.8	40.03	2.603	B_1U	0.958
219.2	45.62	0	B_1G	0.958
218.5	45.76	3.58	B_3U	0.958
187.5	53.32	0	B_1G	0.958
184.3	54.27	0	A_U	0.958
150.7	66.34	0	B_2G	0.958
147.8	67.67	0	A_G	0.958
141.3	70.78	0	A_U	0.958
135.3	73.89	5.375	B_3U	0.958
127.5	78.43	0	B_3G	0.958
90.93	110	0	B_1G	0.958
58.8	170.1	0	B_2G	0.958
54.78	182.5	0.0096	B_1U	0.958
54.39	183.9	0.0872	B_3U	0.958
37.36	267.6	0	B_1G	0.958
19.66	508.7	0.0045	B_3U	0.958
15.05	664.5	0	A_U	0.958

Vibrations

Note(s):

1,18;4,5;9,10;13,14-tetrabenzopyrene cation

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