NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3113	3.213	37.5	A	0.958
3087	3.24	6.08	A	0.958
3074	3.253	54.5	A	0.958
3068	3.26	29.3	A	0.958
3063	3.264	52.8	A	0.958
3053	3.275	13.6	A	0.958
3051	3.277	16	A	0.958
3046	3.283	1.01	A	0.958
3044	3.285	2.14	A	0.958
3041	3.288	1.26	A	0.958
2920	3.425	13.6	A	0.958
2895	3.454	16.3	A	0.958
1616	6.188	1.29	A	0.958
1603	6.24	7.84	A	0.958
1587	6.301	12.5	A	0.958
1576	6.345	1.86	A	0.958
1565	6.389	0.0359	A	0.958
1547	6.466	0.393	A	0.958
1491	6.709	0.887	A	0.958
1466	6.82	0.144	A	0.958
1444	6.923	1.53	A	0.958
1430	6.994	7.42	A	0.958
1425	7.02	8.53	A	0.958
1413	7.078	9.36	A	0.958
1387	7.208	3.65	A	0.958
1384	7.226	0.996	A	0.958
1373	7.284	0.275	A	0.958
1338	7.475	7.24	A	0.958
1320	7.577	0.0983	A	0.958
1310	7.636	0.729	A	0.958
1270	7.872	3.58	A	0.958
1247	8.021	0.33	A	0.958
1241	8.06	0.128	A	0.958
1223	8.179	1.06	A	0.958
1193	8.381	0.83	A	0.958
1184	8.443	5.76	A	0.958
1166	8.574	5.18	A	0.958
1163	8.601	0.414	A	0.958
1127	8.876	0.604	A	0.958
1114	8.974	2.36	A	0.958
1111	9.004	0.344	A	0.958
1091	9.164	0.906	A	0.958
1059	9.441	1.26	A	0.958
993.2	10.07	0.804	A	0.958
980.2	10.2	0.56	A	0.958
971.2	10.3	0.314	A	0.958
971.1	10.3	0.143	A	0.958
966.8	10.34	0.991	A	0.958
950.2	10.52	0.947	A	0.958
935.1	10.69	9.07	A	0.958
925.8	10.8	11.8	A	0.958
902.2	11.08	3.53	A	0.958
884.3	11.31	37.5	A	0.958
860.6	11.62	1.3	A	0.958
836.3	11.96	51.1	A	0.958
821.2	12.18	0.036	A	0.958
808	12.38	5.05	A	0.958
801.5	12.48	9.15	A	0.958
801.1	12.48	1.84	A	0.958
756.2	13.22	8.86	A	0.958
756.1	13.23	1.55	A	0.958
734.8	13.61	1.77	A	0.958
734.5	13.61	2.06	A	0.958
704.3	14.2	48.4	A	0.958
679.9	14.71	0.0133	A	0.958
643.5	15.54	1.35	A	0.958
640.2	15.62	2.28	A	0.958
570.9	17.52	1.03	A	0.958
545.4	18.33	0.384	A	0.958
538	18.59	0.0068	A	0.958
530.7	18.84	1.14	A	0.958
515.6	19.39	2.55	A	0.958
507.2	19.72	0.506	A	0.958
479.9	20.84	1.62	A	0.958
469.5	21.3	0.197	A	0.958
421.5	23.72	5.84	A	0.958
406.3	24.61	1.05	A	0.958
390.5	25.61	0.0538	A	0.958
343.3	29.13	0.246	A	0.958
299.5	33.39	0.218	A	0.958
291.9	34.26	0.703	A	0.958
217.9	45.89	4.98	A	0.958
215.1	46.48	0.925	A	0.958
194.5	51.4	1.27	A	0.958
162.1	61.7	0.602	A	0.958
112.2	89.13	0.253	A	0.958
67.32	148.5	0.533	A	0.958

Vibrations

Note(s):

9-H-CpaP

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