NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3069	3.259	0	A_G	0.958
3068	3.259	108	B_U	0.958
3052	3.276	0	A_G	0.958
3052	3.277	105	A_U	0.958
3043	3.286	0	B_G	0.958
3042	3.287	32.9	A_U	0.958
3037	3.293	0	A_G	0.958
3037	3.293	9.93	B_U	0.958
3032	3.298	0	B_G	0.958
3032	3.298	9.3	B_U	0.958
2751	3.635	52.9	B_U	0.958
2732	3.661	0	A_G	0.958
1597	6.262	7.65	B_U	0.958
1555	6.432	0	A_G	0.958
1540	6.495	7.17	A_U	0.958
1536	6.509	0	B_G	0.958
1500	6.665	0	A_G	0.958
1491	6.707	0	B_G	0.958
1466	6.82	0.681	B_U	0.958
1452	6.887	5.75	A_U	0.958
1425	7.016	0	B_G	0.958
1353	7.392	18.1	A_U	0.958
1353	7.392	32.2	B_U	0.958
1350	7.409	0	A_G	0.958
1347	7.423	0	B_G	0.958
1320	7.576	0	A_G	0.958
1284	7.786	0	B_G	0.958
1277	7.83	0	A_G	0.958
1275	7.84	1.9	A_U	0.958
1271	7.867	3.77	B_U	0.958
1266	7.899	0.0067	A_U	0.958
1234	8.104	0	B_G	0.958
1205	8.302	2.58	A_U	0.958
1170	8.549	25.7	B_U	0.958
1166	8.579	0	B_G	0.958
1125	8.889	0	A_G	0.958
1115	8.97	0	A_G	0.958
1110	9.012	0.856	A_U	0.958
1063	9.412	0.236	B_U	0.958
1044	9.582	0	A_G	0.958
1035	9.665	0	B_G	0.958
1001	9.989	4.82	A_U	0.958
971.5	10.29	0	A_G	0.958
968.2	10.33	3.95	B_U	0.958
941.5	10.62	1.18	A_U	0.958
939.7	10.64	0	A_G	0.958
939.2	10.65	9.78	B_U	0.958
918.5	10.89	0	A_G	0.958
912.1	10.96	0	B_G	0.958
893.3	11.19	0.573	A_U	0.958
865	11.56	0.0787	A_U	0.958
851.6	11.74	124	B_U	0.958
815	12.27	0	B_G	0.958
781.1	12.8	0	A_G	0.958
773.5	12.93	6.49	B_U	0.958
767.2	13.03	0	A_G	0.958
745.4	13.42	15	B_U	0.958
730.4	13.69	0	B_G	0.958
684.7	14.61	5.5	B_U	0.958
643.3	15.54	20.3	B_U	0.958
600.3	16.66	0.126	A_U	0.958
570	17.54	0	A_G	0.958
554.5	18.03	0	A_G	0.958
527.4	18.96	0	B_G	0.958
517.9	19.31	0.0141	A_U	0.958
500	20	0	B_G	0.958
480.2	20.82	0.992	B_U	0.958
447.7	22.33	0	A_G	0.958
443.9	22.53	2.54	B_U	0.958
392.4	25.48	0	B_G	0.958
385.3	25.95	0.193	A_U	0.958
385.3	25.95	0	A_G	0.958
351.7	28.44	6.35	A_U	0.958
240.3	41.62	0	A_G	0.958
238.6	41.9	0	B_G	0.958
202.6	49.37	3.97	B_U	0.958
130.3	76.72	0.0002	A_U	0.958
89.07	112.3	0.558	B_U	0.958

Vibrations

Note(s):

Updown add H2 to center of pyrene

You are kindly asked to consider the following references for citation when using the database:

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, 282, 7, 2025 10.3847/1538-4365/ae1c38 — 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
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