NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3092	3.234	32.9	?A	0.958
3086	3.24	7.67	?A	0.958
3072	3.255	41	?A	0.958
3068	3.259	66.9	?A	0.958
3066	3.261	50.9	?A	0.958
3064	3.263	8.88	?A	0.958
3063	3.265	4.6	?A	0.958
3052	3.277	3.15	?A	0.958
3047	3.282	30	?A	0.958
3046	3.283	8.91	?A	0.958
3045	3.284	2.85	?A	0.958
3039	3.291	6.03	?A	0.958
2698	3.706	95.3	?A	0.958
1622	6.165	8.76	?A	0.958
1602	6.242	9.81	?A	0.958
1598	6.258	0.713	?A	0.958
1584	6.311	51.9	?A	0.958
1564	6.393	15.6	?A	0.958
1558	6.417	41	?A	0.958
1520	6.578	4.15	?A	0.958
1510	6.624	26.8	?A	0.958
1496	6.685	9.24	?A	0.958
1458	6.858	6.79	?A	0.958
1442	6.934	16.1	?A	0.958
1432	6.982	2.87	?A	0.958
1423	7.027	0.569	?A	0.958
1421	7.036	45.5	?A	0.958
1413	7.077	67.1	?A	0.958
1388	7.203	10.3	?A	0.958
1371	7.295	1.18	?A	0.958
1358	7.364	11.3	?A	0.958
1346	7.432	4.12	?A	0.958
1330	7.519	22.2	?A	0.958
1329	7.527	52	?A	0.958
1306	7.655	46.2	?A	0.958
1295	7.723	22.1	?A	0.958
1255	7.97	15.1	?A	0.958
1247	8.018	19.7	?A	0.958
1245	8.033	12.2	?A	0.958
1230	8.131	5.23	?A	0.958
1218	8.208	3.33	?A	0.958
1210	8.266	1.15	?A	0.958
1199	8.339	19.9	?A	0.958
1186	8.43	3.23	?A	0.958
1164	8.594	1.96	?A	0.958
1163	8.598	6.48	?A	0.958
1147	8.717	26	?A	0.958
1141	8.763	15	?A	0.958
1127	8.87	5.22	?A	0.958
1106	9.04	18.7	?A	0.958
1089	9.187	6.64	?A	0.958
989.8	10.1	11.5	?A	0.958
978.9	10.22	0.0886	?A	0.958
971.2	10.3	0.143	?A	0.958
960.4	10.41	0.356	?A	0.958
952.7	10.5	0.7	?A	0.958
950.2	10.52	2.35	?A	0.958
948.6	10.54	0.313	?A	0.958
936.7	10.68	0.378	?A	0.958
917.5	10.9	0.868	?A	0.958
906.9	11.03	3.31	?A	0.958
856.2	11.68	129	?A	0.958
854.8	11.7	33.7	?A	0.958
839.2	11.92	5.08	?A	0.958
822.5	12.16	12.1	?A	0.958
808.8	12.36	5.89	?A	0.958
794.9	12.58	3.85	?A	0.958
786.2	12.72	3.28	?A	0.958
778.6	12.84	0.194	?A	0.958
762	13.12	10.7	?A	0.958
758.5	13.18	5.22	?A	0.958
752	13.3	4.41	?A	0.958
738	13.55	1.12	?A	0.958
722.4	13.84	2.48	?A	0.958
680.9	14.69	2.02	?A	0.958
680.8	14.69	2.78	?A	0.958
673.9	14.84	0.648	?A	0.958
660.9	15.13	1.59	?A	0.958
646	15.48	0.726	?A	0.958
624.5	16.01	3.24	?A	0.958
616	16.23	3.99	?A	0.958
555.9	17.99	11.1	?A	0.958
544.5	18.37	7.45	?A	0.958
529.3	18.89	0.666	?A	0.958
512.9	19.5	0.695	?A	0.958
503.1	19.88	1.65	?A	0.958
490.4	20.39	0.921	?A	0.958
486.3	20.56	1.74	?A	0.958
470.4	21.26	0.678	?A	0.958
446.6	22.39	0.713	?A	0.958
430.5	23.23	1.19	?A	0.958
421	23.75	0.209	?A	0.958
377.2	26.51	3.6	?A	0.958
374.8	26.68	4.48	?A	0.958
351.2	28.48	0.0913	?A	0.958
343.9	29.08	0.167	?A	0.958
296	33.78	0.206	?A	0.958
287.8	34.74	0.227	?A	0.958
280	35.72	0.471	?A	0.958
251.6	39.75	0.0524	?A	0.958
203.9	49.04	0.0674	?A	0.958
154.8	64.62	0.45	?A	0.958
129.6	77.19	4.58	?A	0.958
75.07	133.2	0.163	?A	0.958
72.23	138.4	0.0719	?A	0.958

Vibrations

Note(s):

N3H1 N3 with H at carbon 1

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