NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3136	3.188	0	A_G	0.958
3135	3.19	32.95	B_1U	0.958
3133	3.192	35.71	B_2U	0.958
3131	3.194	0	B_3G	0.958
3123	3.202	0	A_G	0.958
3120	3.205	11.53	B_2U	0.958
3119	3.206	2.327	B_1U	0.958
3116	3.209	0	B_3G	0.958
3106	3.22	0	A_G	0.958
3104	3.221	5.711	B_2U	0.958
3102	3.224	4.995	B_1U	0.958
3101	3.225	0	A_G	0.958
3093	3.233	0	B_3G	0.958
3093	3.233	0.5648	B_1U	0.958
1576	6.346	0	B_3G	0.958
1575	6.349	2.742	B_1U	0.958
1565	6.389	0	A_G	0.958
1537	6.508	170.1	B_2U	0.958
1535	6.516	26.56	B_1U	0.958
1534	6.518	0	A_G	0.958
1515	6.6	62.14	B_2U	0.958
1484	6.739	1.539	B_1U	0.958
1483	6.741	0	B_3G	0.958
1474	6.783	0	A_G	0.958
1470	6.804	0	B_3G	0.958
1449	6.899	20.42	B_2U	0.958
1442	6.934	0	B_3G	0.958
1432	6.982	80.86	B_2U	0.958
1417	7.056	0	A_G	0.958
1387	7.208	41.54	B_1U	0.958
1356	7.375	1.626	B_2U	0.958
1355	7.382	0	B_3G	0.958
1348	7.416	0	A_G	0.958
1341	7.458	293.3	B_2U	0.958
1337	7.478	122.7	B_1U	0.958
1316	7.597	0	A_G	0.958
1281	7.809	0	B_3G	0.958
1271	7.871	0	B_3G	0.958
1265	7.903	3.041	B_2U	0.958
1262	7.921	0	A_G	0.958
1253	7.978	127.9	B_1U	0.958
1218	8.208	21.2	B_2U	0.958
1209	8.268	0	B_3G	0.958
1196	8.358	0	A_G	0.958
1189	8.41	16.7	B_2U	0.958
1169	8.557	0	B_3G	0.958
1136	8.803	0.2363	B_1U	0.958
1121	8.92	0.7501	B_1U	0.958
1110	9.007	0	A_G	0.958
1071	9.339	24.13	B_2U	0.958
1064	9.396	0	B_3G	0.958
1045	9.567	0	A_G	0.958
1038	9.631	15.1	B_2U	0.958
1002	9.976	1.765	B_1U	0.958
992.4	10.08	0	B_2G	0.958
991.5	10.09	0	A_U	0.958
984	10.16	0	A_G	0.958
978	10.22	56.19	B_1U	0.958
977.1	10.23	0.1468	B_3U	0.958
974.9	10.26	0	B_2G	0.958
946.7	10.56	0	B_1G	0.958
943	10.6	1.343	B_3U	0.958
897.3	11.15	0	A_U	0.958
890.1	11.23	0	B_1G	0.958
851.4	11.74	0	B_2G	0.958
849	11.78	0	A_U	0.958
847.7	11.8	0	B_3G	0.958
805.7	12.41	0	B_2G	0.958
792.6	12.62	10.44	B_3U	0.958
774.9	12.9	52.94	B_2U	0.958
774.5	12.91	0	A_G	0.958
754	13.26	0	B_1G	0.958
745.5	13.41	218.2	B_3U	0.958
743.3	13.45	0	A_U	0.958
729.8	13.7	42.22	B_1U	0.958
721.8	13.85	0	B_2G	0.958
716.1	13.96	0	B_2G	0.958
662.4	15.1	9.827	B_3U	0.958
649	15.41	0	A_G	0.958
624	16.03	0	B_3G	0.958
618.6	16.17	24.07	B_2U	0.958
604.2	16.55	0.976	B_1U	0.958
601.7	16.62	0	B_3G	0.958
593.5	16.85	0	A_U	0.958
578.9	17.27	0	B_1G	0.958
513.3	19.48	0	B_2G	0.958
497.6	20.1	0	B_2G	0.958
487.6	20.51	7.532	B_3U	0.958
484.1	20.66	1.635	B_1U	0.958
471.7	21.2	1.243	B_2U	0.958
439.7	22.74	0	A_G	0.958
437.4	22.86	0	A_U	0.958
416.5	24.01	0	B_1G	0.958
405.2	24.68	0.162	B_3U	0.958
366.7	27.27	0	B_3G	0.958
359	27.86	0.1274	B_2U	0.958
308.2	32.45	0	A_G	0.958
298.6	33.49	0	B_2G	0.958
288.9	34.61	0	B_3G	0.958
276.8	36.13	0.061	B_3U	0.958
227.5	43.95	0	B_1G	0.958
208.5	47.96	4.095	B_1U	0.958
158.1	63.24	0	A_U	0.958
114.3	87.48	6.941	B_3U	0.958
102.7	97.34	0	B_1G	0.958
72.03	138.8	0	B_2G	0.958
58.63	170.6	0	A_U	0.958
21.7	460.9	0.0001	B_3U	0.958

Note(s):

Dibenzopyrene BPB+ BP86

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