NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3069	3.259	0	A_G	0.958
3068	3.259	107.9	B_U	0.958
3053	3.276	0	A_G	0.958
3052	3.276	105.4	A_U	0.958
3043	3.286	0	B_G	0.958
3043	3.287	32.9	A_U	0.958
3037	3.293	0	A_G	0.958
3037	3.293	10.28	B_U	0.958
3033	3.297	0	B_G	0.958
3033	3.297	8.867	B_U	0.958
2752	3.633	52.72	B_U	0.958
2733	3.659	0	A_G	0.958
1597	6.263	7.661	B_U	0.958
1554	6.433	0	A_G	0.958
1540	6.495	7.177	A_U	0.958
1536	6.509	0	B_G	0.958
1500	6.666	0	A_G	0.958
1491	6.707	0	B_G	0.958
1466	6.821	0.6908	B_U	0.958
1452	6.888	5.715	A_U	0.958
1425	7.017	0	B_G	0.958
1353	7.389	18.16	A_U	0.958
1353	7.39	32.05	B_U	0.958
1350	7.407	0	A_G	0.958
1348	7.421	0	B_G	0.958
1319	7.583	0	A_G	0.958
1287	7.771	0	B_G	0.958
1278	7.826	1.911	A_U	0.958
1277	7.831	0	A_G	0.958
1271	7.866	3.871	B_U	0.958
1267	7.891	0.0273	A_U	0.958
1235	8.097	0	B_G	0.958
1205	8.301	2.535	A_U	0.958
1169	8.558	25.71	B_U	0.958
1166	8.58	0	B_G	0.958
1124	8.894	0	A_G	0.958
1113	8.982	0	A_G	0.958
1110	9.009	0.8972	A_U	0.958
1062	9.417	0.244	B_U	0.958
1043	9.584	0	A_G	0.958
1034	9.669	0	B_G	0.958
1001	9.989	4.835	A_U	0.958
971.4	10.29	0	A_G	0.958
968.1	10.33	3.975	B_U	0.958
941.5	10.62	1.166	A_U	0.958
939.7	10.64	0	A_G	0.958
938.9	10.65	9.839	B_U	0.958
918.2	10.89	0	A_G	0.958
912	10.97	0	B_G	0.958
893.5	11.19	0.5781	A_U	0.958
864.9	11.56	0.0812	A_U	0.958
851.7	11.74	123.7	B_U	0.958
815	12.27	0	B_G	0.958
780.6	12.81	0	A_G	0.958
773.6	12.93	6.554	B_U	0.958
766.8	13.04	0	A_G	0.958
745.3	13.42	15.12	B_U	0.958
730	13.7	0	B_G	0.958
684.4	14.61	5.518	B_U	0.958
643.2	15.55	20.38	B_U	0.958
600.7	16.65	0.1232	A_U	0.958
569.8	17.55	0	A_G	0.958
554.6	18.03	0	A_G	0.958
527.5	18.96	0	B_G	0.958
517.5	19.32	0.0114	A_U	0.958
499.7	20.01	0	B_G	0.958
479.6	20.85	0.983	B_U	0.958
447.8	22.33	0	A_G	0.958
443.9	22.53	2.537	B_U	0.958
392	25.51	0	B_G	0.958
385.8	25.92	0.2157	A_U	0.958
385.1	25.97	0	A_G	0.958
351.3	28.47	6.321	A_U	0.958
240	41.66	0	A_G	0.958
238.7	41.89	0	B_G	0.958
202.5	49.39	3.938	B_U	0.958
130	76.95	0.0001	A_U	0.958
88.78	112.6	0.5716	B_U	0.958

Note(s):

Updown add H2 to center of pyrene

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