NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3076	3.251	0	A_G	0.958
3076	3.251	163.5	B_1U	0.958
3066	3.262	0	A_G	0.958
3065	3.262	111.5	B_2U	0.958
3058	3.27	0	B_3G	0.958
3058	3.27	42	B_2U	0.958
3049	3.279	0.112	B_1U	0.958
3049	3.279	0	A_G	0.958
3047	3.282	0	B_3G	0.958
3046	3.283	14.04	B_1U	0.958
3045	3.284	36.02	B_2U	0.958
3045	3.284	0	A_G	0.958
3042	3.287	0	B_3G	0.958
3042	3.287	0.905	B_1U	0.958
1614	6.195	0	A_G	0.958
1606	6.225	4.108	B_2U	0.958
1606	6.226	5.721	B_1U	0.958
1587	6.303	0	B_3G	0.958
1580	6.329	0	A_G	0.958
1558	6.42	0	B_3G	0.958
1557	6.423	30.52	B_1U	0.958
1553	6.438	7.322	B_2U	0.958
1542	6.484	0	A_G	0.958
1490	6.713	0	A_G	0.958
1488	6.722	10.45	B_1U	0.958
1481	6.752	0	B_3G	0.958
1479	6.76	2.872	B_2U	0.958
1459	6.854	0.3186	B_2U	0.958
1432	6.981	0	B_3G	0.958
1431	6.99	4.029	B_1U	0.958
1412	7.082	0	B_3G	0.958
1407	7.108	0	A_G	0.958
1397	7.16	11.38	B_1U	0.958
1393	7.176	2.694	B_2U	0.958
1390	7.194	0	B_3G	0.958
1380	7.245	0.0005	B_2U	0.958
1373	7.281	4.283	B_1U	0.958
1365	7.328	0	A_G	0.958
1345	7.437	0	B_3G	0.958
1331	7.513	1.12	B_2U	0.958
1330	7.52	0	A_G	0.958
1306	7.655	1.321	B_1U	0.958
1287	7.769	8.975	B_2U	0.958
1282	7.802	0	A_G	0.958
1273	7.857	0	B_3G	0.958
1262	7.927	0.9159	B_2U	0.958
1240	8.062	10.46	B_1U	0.958
1199	8.339	0	A_G	0.958
1192	8.387	0	B_3G	0.958
1188	8.418	0	B_3G	0.958
1188	8.419	7.588	B_2U	0.958
1178	8.485	0	A_G	0.958
1178	8.488	0	B_2U	0.958
1167	8.567	2.691	B_1U	0.958
1148	8.712	3.579	B_2U	0.958
1111	9	2.32	B_1U	0.958
1075	9.301	0	A_G	0.958
1075	9.306	0	B_3G	0.958
1050	9.523	0	A_G	0.958
1043	9.59	1.665	B_1U	0.958
1037	9.645	2.049	B_2U	0.958
979.7	10.21	0	B_3G	0.958
978.1	10.22	0	B_2G	0.958
975.8	10.25	3.92	B_3U	0.958
975.8	10.25	0	A_U	0.958
973.9	10.27	0	B_2G	0.958
909.7	10.99	0	B_1G	0.958
904.9	11.05	0	A_U	0.958
899.8	11.11	0	A_G	0.958
896.2	11.16	148.7	B_3U	0.958
885.5	11.29	0	B_2G	0.958
880.9	11.35	0	B_3G	0.958
871.8	11.47	3.821	B_1U	0.958
869.6	11.5	0	B_1G	0.958
857.6	11.66	0	A_U	0.958
809.8	12.35	0.0335	B_3U	0.958
790.1	12.66	0	B_2G	0.958
789.7	12.66	0	B_1G	0.958
787.2	12.7	0	A_G	0.958
785.1	12.74	0.5405	B_1U	0.958
783.5	12.76	1.73	B_2U	0.958
781.1	12.8	2.341	B_3U	0.958
768.4	13.01	0	B_2G	0.958
753.8	13.27	71.51	B_3U	0.958
753.5	13.27	0	A_U	0.958
733.2	13.64	0	B_2G	0.958
717.8	13.93	6.08	B_1U	0.958
671.9	14.88	0.7018	B_3U	0.958
655.8	15.25	0	B_3G	0.958
652.1	15.34	0.4714	B_2U	0.958
649.4	15.4	0	B_1G	0.958
638.2	15.67	0	B_2G	0.958
627.2	15.94	0	A_G	0.958
624.1	16.02	0	B_3G	0.958
617.1	16.21	2.3	B_1U	0.958
607.6	16.46	0	A_U	0.958
565.6	17.68	0	A_G	0.958
563.3	17.75	0	B_1G	0.958
555.3	18.01	1.91	B_2U	0.958
549.2	18.21	0	B_2G	0.958
539.1	18.55	14.64	B_3U	0.958
530.6	18.85	0	A_U	0.958
508.5	19.67	3.458	B_3U	0.958
486.6	20.55	0	B_3G	0.958
485.8	20.59	1.633	B_1U	0.958
462.6	21.62	0	B_2G	0.958
431.3	23.18	0	A_G	0.958
425	23.53	2.654	B_2U	0.958
399	25.06	6.976	B_1U	0.958
388.8	25.72	0	A_U	0.958
376	26.6	0	B_3G	0.958
342.6	29.19	0	B_2G	0.958
341.7	29.27	0	B_3G	0.958
329.4	30.36	0.1691	B_3U	0.958
318.6	31.39	0	B_1G	0.958
295.6	33.83	0	A_G	0.958
267.4	37.4	0	B_1G	0.958
261.8	38.2	0	B_2G	0.958
243	41.15	1.178	B_2U	0.958
234.6	42.62	0	A_U	0.958
216.9	46.11	0.1587	B_3U	0.958
139.4	71.76	0	B_1G	0.958
117.1	85.42	0	B_2G	0.958
114.7	87.22	4.213	B_3U	0.958
83.56	119.7	0	A_U	0.958
46.27	216.1	0.2592	B_3U	0.958

Note(s):

5,6;12,13 dibenzoperopyrene

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