NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3119	3.206	8.143	A₁	0.958
3114	3.212	2.861	A₁	0.958
3113	3.212	5.748	B₂	0.958
3105	3.22	3.319	B₂	0.958
3099	3.227	0.7725	A₁	0.958
3099	3.227	0.893	B₂	0.958
3092	3.234	0.2134	A₁	0.958
3091	3.235	0.1734	B₂	0.958
3091	3.235	0.2073	A₁	0.958
3089	3.237	1.014	B₂	0.958
1590	6.29	1.752	A₁	0.958
1572	6.363	106.1	A₁	0.958
1531	6.533	9.495	A₁	0.958
1511	6.618	7.435	B₂	0.958
1498	6.674	22.34	B₂	0.958
1472	6.794	9.533	B₂	0.958
1446	6.917	0.4616	A₁	0.958
1437	6.961	35.09	B₂	0.958
1435	6.971	94.14	A₁	0.958
1410	7.09	44	A₁	0.958
1395	7.171	3.52	B₂	0.958
1385	7.218	72.36	A₁	0.958
1342	7.449	67.12	A₁	0.958
1330	7.516	0.0321	B₂	0.958
1276	7.839	13.78	B₂	0.958
1269	7.882	36.14	A₁	0.958
1229	8.137	56.56	B₂	0.958
1217	8.22	7.23	B₂	0.958
1199	8.338	29.73	A₁	0.958
1188	8.419	2.206	A₁	0.958
1149	8.7	17.97	B₂	0.958
1089	9.181	97.11	B₂	0.958
1084	9.225	20.69	A₁	0.958
1050	9.528	6.59	A₁	0.958
1028	9.725	5.731	B₂	0.958
1013	9.873	8.417	A₁	0.958
990.7	10.09	0.3388	B₁	0.958
988.7	10.11	0	A₂	0.958
984.4	10.16	0	A₂	0.958
976.6	10.24	116.1	B₂	0.958
955.6	10.46	197.4	B₂	0.958
943.1	10.6	0.6109	B₁	0.958
927.4	10.78	0.3019	B₁	0.958
908.7	11	0	A₂	0.958
883.9	11.31	14.22	A₁	0.958
876.5	11.41	0	A₂	0.958
812.1	12.31	39.81	B₁	0.958
800.8	12.49	0.3003	A₁	0.958
770.4	12.98	0	A₂	0.958
752.6	13.29	128.7	B₁	0.958
725.6	13.78	0.9335	B₁	0.958
717.5	13.94	88.5	B₂	0.958
716.9	13.95	0	A₂	0.958
661.3	15.12	10.96	A₁	0.958
617.1	16.2	0	A₂	0.958
609.8	16.4	2.076	B₂	0.958
586.3	17.06	11.16	B₁	0.958
555	18.02	0.0807	A₁	0.958
551.9	18.12	0.4455	B₂	0.958
516.6	19.36	0	A₂	0.958
481	20.79	1.732	A₁	0.958
437.3	22.87	1.226	B₁	0.958
404.5	24.72	0	A₂	0.958
389.5	25.68	1.881	B₁	0.958
376.7	26.54	75.79	B₂	0.958
346	28.9	0.1514	A₁	0.958
269.3	37.14	0.6388	B₁	0.958
239.2	41.8	0	A₂	0.958
164.7	60.7	30.17	B₂	0.958
157.5	63.49	4.669	B₁	0.958
117.5	85.13	0	A₂	0.958
94.16	106.2	5.124	B₁	0.958

Vibrations

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