NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3121	3.204	3.13	?A	0.958
3115	3.211	14.9	?A	0.958
3111	3.214	1.51	?A	0.958
3101	3.225	6	?A	0.958
3100	3.226	9.24	?A	0.958
3092	3.234	4.38	?A	0.958
3089	3.238	13.1	?A	0.958
3088	3.239	4.71	?A	0.958
3083	3.244	1.68	?A	0.958
3078	3.249	0.501	?A	0.958
3076	3.251	0.15	?A	0.958
3072	3.255	1.34	?A	0.958
3071	3.256	0.921	?A	0.958
3065	3.262	0.729	?A	0.958
1589	6.292	45.5	?A	0.958
1574	6.352	48.8	?A	0.958
1565	6.389	124	?A	0.958
1551	6.446	7.04	?A	0.958
1539	6.496	42.6	?A	0.958
1533	6.522	75.5	?A	0.958
1513	6.61	5.92	?A	0.958
1508	6.631	7.22	?A	0.958
1486	6.731	38.1	?A	0.958
1473	6.787	85.3	?A	0.958
1463	6.834	30.6	?A	0.958
1446	6.914	3.56	?A	0.958
1436	6.963	11	?A	0.958
1427	7.009	0.464	?A	0.958
1409	7.098	30.9	?A	0.958
1394	7.173	47.3	?A	0.958
1375	7.271	47.9	?A	0.958
1346	7.429	81.6	?A	0.958
1340	7.463	19.2	?A	0.958
1329	7.523	65.5	?A	0.958
1322	7.562	70.5	?A	0.958
1305	7.663	62.3	?A	0.958
1291	7.744	29.5	?A	0.958
1271	7.869	15.4	?A	0.958
1256	7.961	31.5	?A	0.958
1251	7.995	181	?A	0.958
1230	8.129	39.2	?A	0.958
1214	8.236	1.26	?A	0.958
1200	8.333	34.1	?A	0.958
1194	8.376	2.94	?A	0.958
1187	8.424	4.85	?A	0.958
1181	8.466	7.01	?A	0.958
1163	8.601	17.7	?A	0.958
1126	8.882	2.39	?A	0.958
1118	8.944	2.84	?A	0.958
1090	9.176	6.37	?A	0.958
1072	9.324	0.336	?A	0.958
1044	9.575	4.18	?A	0.958
1036	9.649	3.47	?A	0.958
1018	9.825	3.96	?A	0.958
1010	9.899	0.178	?A	0.958
1003	9.968	0.353	?A	0.958
996	10.04	1.31	?A	0.958
987.2	10.13	0.151	?A	0.958
985.7	10.15	1.34	?A	0.958
969.4	10.32	3.09	?A	0.958
944.1	10.59	2.71	?A	0.958
927.1	10.79	6.42	?A	0.958
917.3	10.9	1.9	?A	0.958
912.7	10.96	15.3	?A	0.958
886.2	11.28	12.8	?A	0.958
873.9	11.44	8.5	?A	0.958
848.3	11.79	2.67	?A	0.958
837.6	11.94	24.3	?A	0.958
829.7	12.05	6.38	?A	0.958
801.9	12.47	0.594	?A	0.958
784.4	12.75	24.8	?A	0.958
767.2	13.03	3.12	?A	0.958
760.2	13.15	77.2	?A	0.958
758.8	13.18	13.3	?A	0.958
748.8	13.36	6.78	?A	0.958
743.2	13.46	10.1	?A	0.958
733.6	13.63	3.42	?A	0.958
679.7	14.71	0.62	?A	0.958
651	15.36	8.21	?A	0.958
641.3	15.59	3.14	?A	0.958
631	15.85	1.35	?A	0.958
623.6	16.03	2.47	?A	0.958
614	16.29	0.936	?A	0.958
586.6	17.05	20.4	?A	0.958
557.4	17.94	0.539	?A	0.958
535.6	18.67	5.5	?A	0.958
529	18.9	3.51	?A	0.958
510.8	19.58	0.563	?A	0.958
493.1	20.28	0.184	?A	0.958
477.1	20.96	4.01	?A	0.958
468	21.37	4.74	?A	0.958
441.6	22.64	1.89	?A	0.958
428.1	23.36	1.04	?A	0.958
403.4	24.79	0.558	?A	0.958
391.1	25.57	2.96	?A	0.958
362.3	27.6	0.981	?A	0.958
334.1	29.93	0.524	?A	0.958
304.6	32.82	1.16	?A	0.958
291	34.37	1.28	?A	0.958
259.4	38.54	1.22	?A	0.958
250.3	39.95	0.508	?A	0.958
224.3	44.57	0.532	?A	0.958
180.4	55.45	2.39	?A	0.958
142.5	70.2	1.28	?A	0.958
122.2	81.81	0.734	?A	0.958
95.15	105.1	2.73	?A	0.958
75.46	132.5	0.311	?A	0.958
52.28	191.3	0.149	?A	0.958

Vibrations

Note(s):

Dibenzo[a,l]pyrene cation

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