NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3106	3.219	0.0228	A₁	0.958
3106	3.219	6.097	B₂	0.958
3096	3.229	0.3069	A₁	0.958
3096	3.23	0.0499	B₂	0.958
3087	3.239	0.9454	A₁	0.958
3087	3.239	0.4563	B₂	0.958
3076	3.251	0.1019	A₁	0.958
3075	3.252	0.7218	B₂	0.958
3067	3.26	0.0251	A₁	0.958
1559	6.412	56.79	A₁	0.958
1526	6.553	0.7751	B₂	0.958
1523	6.567	0.0709	A₁	0.958
1516	6.594	65.95	B₂	0.958
1493	6.696	0.2015	B₂	0.958
1478	6.764	0.0271	A₁	0.958
1453	6.884	21.39	A₁	0.958
1422	7.034	169.1	B₂	0.958
1402	7.133	79.02	B₂	0.958
1389	7.198	63.44	B₂	0.958
1344	7.439	0.3687	A₁	0.958
1318	7.589	289.8	B₂	0.958
1294	7.729	0.5195	A₁	0.958
1256	7.962	8.72	A₁	0.958
1240	8.064	28.33	B₂	0.958
1235	8.097	6.487	A₁	0.958
1196	8.359	50.74	B₂	0.958
1192	8.387	0.1217	A₁	0.958
1181	8.468	2.357	B₂	0.958
1130	8.849	0.7209	A₁	0.958
1093	9.148	0	B₂	0.958
1022	9.784	0.0931	B₁	0.958
1021	9.798	0	A₂	0.958
1020	9.805	0.2731	A₁	0.958
1019	9.816	2.067	B₂	0.958
981.2	10.19	3.946	B₁	0.958
978	10.22	0	A₂	0.958
924	10.82	12.79	B₁	0.958
921	10.86	1.836	B₂	0.958
890.3	11.23	0.2196	A₁	0.958
886	11.29	0	A₂	0.958
870.6	11.49	10.15	B₁	0.958
817.7	12.23	14.95	B₂	0.958
761.3	13.14	0	A₂	0.958
760.3	13.15	102.9	B₁	0.958
742.6	13.47	7.177	B₁	0.958
739.8	13.52	0.2713	A₁	0.958
714.7	13.99	0	A₂	0.958
654.8	15.27	0.0648	A₁	0.958
618.8	16.16	0.5443	A₁	0.958
603.2	16.58	0.7944	B₂	0.958
567.8	17.61	0.5594	B₁	0.958
522.2	19.15	1.041	B₂	0.958
475.5	21.03	0	A₂	0.958
469.5	21.3	23.31	B₁	0.958
440.3	22.71	0	A₂	0.958
386.3	25.89	0.0098	A₁	0.958
378.8	26.4	0.8032	B₁	0.958
371.1	26.95	0.0438	B₂	0.958
275.4	36.31	0.8103	B₁	0.958
226.3	44.18	0.8702	A₁	0.958
215	46.5	0	A₂	0.958
114.4	87.41	0	A₂	0.958
85.04	117.6	2.604	B₁	0.958

Vibrations

Note(s):

Anthracene Ion minus H at site 9 triplet

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