NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3119	3.206	8.161	A₁	0.958
3113	3.212	2.824	A₁	0.958
3113	3.213	5.817	B₂	0.958
3105	3.221	3.315	B₂	0.958
3099	3.227	0.7967	A₁	0.958
3098	3.227	0.8472	B₂	0.958
3092	3.234	0.2289	A₁	0.958
3091	3.236	0.1635	B₂	0.958
3090	3.236	0.1919	A₁	0.958
3089	3.237	1.016	B₂	0.958
1590	6.287	1.331	A₁	0.958
1572	6.361	106.7	A₁	0.958
1531	6.531	9.203	A₁	0.958
1512	6.616	7.377	B₂	0.958
1499	6.672	22.04	B₂	0.958
1472	6.792	9.7	B₂	0.958
1446	6.916	0.3946	A₁	0.958
1437	6.959	35.29	B₂	0.958
1435	6.97	93.89	A₁	0.958
1411	7.089	44.58	A₁	0.958
1396	7.166	3.568	B₂	0.958
1386	7.216	71.31	A₁	0.958
1343	7.445	68.06	A₁	0.958
1331	7.514	0.0373	B₂	0.958
1276	7.838	13.59	B₂	0.958
1269	7.88	36.24	A₁	0.958
1229	8.136	55.57	B₂	0.958
1217	8.219	8.095	B₂	0.958
1199	8.337	29.76	A₁	0.958
1188	8.417	2.088	A₁	0.958
1150	8.699	18.29	B₂	0.958
1090	9.174	98.08	B₂	0.958
1084	9.227	20.64	A₁	0.958
1050	9.523	6.688	A₁	0.958
1028	9.723	5.439	B₂	0.958
1013	9.872	8.368	A₁	0.958
991.2	10.09	0.36	B₁	0.958
988.9	10.11	0	A₂	0.958
984.7	10.16	0	A₂	0.958
976.7	10.24	117.1	B₂	0.958
955.8	10.46	196.3	B₂	0.958
944.1	10.59	0.6723	B₁	0.958
928.2	10.77	0.3329	B₁	0.958
909.4	11	0	A₂	0.958
884	11.31	14.22	A₁	0.958
877.8	11.39	0	A₂	0.958
812.1	12.31	40.14	B₁	0.958
801.4	12.48	0.3088	A₁	0.958
771.2	12.97	0	A₂	0.958
753.2	13.28	128.4	B₁	0.958
726.1	13.77	0.9755	B₁	0.958
717.8	13.93	88.1	B₂	0.958
717.1	13.95	0	A₂	0.958
661.4	15.12	10.95	A₁	0.958
617.3	16.2	0	A₂	0.958
609.6	16.4	2.14	B₂	0.958
586.8	17.04	11.05	B₁	0.958
555.4	18	0.0838	A₁	0.958
552.3	18.1	0.4317	B₂	0.958
516.5	19.36	0	A₂	0.958
481.4	20.77	1.717	A₁	0.958
436.9	22.89	1.222	B₁	0.958
404.5	24.72	0	A₂	0.958
390.6	25.6	1.85	B₁	0.958
377.1	26.52	75.76	B₂	0.958
346.1	28.89	0.1521	A₁	0.958
269.9	37.06	0.6228	B₁	0.958
239	41.83	0	A₂	0.958
164.3	60.85	30.26	B₂	0.958
158.6	63.05	4.695	B₁	0.958
117.9	84.83	0	A₂	0.958
95.32	104.9	5.053	B₁	0.958

Note(s):

Fluoranthene Ion C2V using BP86

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