NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3105	3.221	49.8	A₁	0.958
3103	3.222	46.9	A₁	0.958
3100	3.226	39.2	B₂	0.958
3096	3.23	7.42	B₂	0.958
3086	3.24	11	A₁	0.958
3081	3.245	0.0264	A₁	0.958
3078	3.249	0.443	B₂	0.958
3076	3.251	6.6	B₂	0.958
3069	3.258	45	A₁	0.958
3068	3.26	15.5	A₁	0.958
3067	3.261	160	B₂	0.958
3065	3.263	17.7	A₁	0.958
3065	3.263	9.14	B₂	0.958
3054	3.274	1.8	B₂	0.958
3050	3.279	4.01	A₁	0.958
3050	3.279	0.268	B₂	0.958
3044	3.285	3.79	A₁	0.958
3044	3.285	0.0164	B₂	0.958
1612	6.202	3.96	A₁	0.958
1612	6.203	2.16	B₂	0.958
1599	6.253	1.46	B₂	0.958
1592	6.28	10.5	B₂	0.958
1588	6.298	7.04	A₁	0.958
1586	6.303	5.16	A₁	0.958
1579	6.334	1.78	B₂	0.958
1567	6.381	3.11	B₂	0.958
1566	6.386	0.399	A₁	0.958
1561	6.407	0.0047	A₁	0.958
1546	6.468	1.83	B₂	0.958
1519	6.585	14.9	A₁	0.958
1514	6.604	0.181	B₂	0.958
1499	6.67	3.62	A₁	0.958
1488	6.72	0.324	A₁	0.958
1484	6.74	6.01	B₂	0.958
1466	6.819	2.12	A₁	0.958
1465	6.828	0.859	B₂	0.958
1455	6.875	0.454	B₂	0.958
1450	6.895	21.5	A₁	0.958
1432	6.985	3.93	B₂	0.958
1426	7.011	10.1	B₂	0.958
1425	7.018	0.039	A₁	0.958
1410	7.093	0.0386	A₁	0.958
1401	7.136	20	B₂	0.958
1383	7.23	3.18	A₁	0.958
1378	7.257	9.12	B₂	0.958
1370	7.301	0.562	B₂	0.958
1359	7.358	7.99	A₁	0.958
1354	7.388	1.19	B₂	0.958
1343	7.447	0.0665	A₁	0.958
1339	7.467	2.54	A₁	0.958
1333	7.499	2.34	A₁	0.958
1325	7.545	6.77	B₂	0.958
1317	7.595	0.639	B₂	0.958
1313	7.613	7.74	A₁	0.958
1298	7.706	0.14	A₁	0.958
1295	7.725	0.476	B₂	0.958
1283	7.796	4.66	B₂	0.958
1282	7.802	0.625	A₁	0.958
1263	7.92	0.252	A₁	0.958
1260	7.937	2.74	A₁	0.958
1240	8.066	1.64	B₂	0.958
1236	8.089	2.74	A₁	0.958
1225	8.163	2.74	B₂	0.958
1215	8.232	2.04	A₁	0.958
1208	8.276	1.58	B₂	0.958
1201	8.328	0.835	A₁	0.958
1197	8.356	1.57	B₂	0.958
1188	8.417	1.97	A₁	0.958
1181	8.466	0.187	A₁	0.958
1165	8.585	4.11	B₂	0.958
1163	8.597	2.79	A₁	0.958
1160	8.619	2.14	B₂	0.958
1121	8.924	0.798	B₂	0.958
1107	9.036	0.0579	A₁	0.958
1094	9.137	2.77	A₁	0.958
1092	9.16	1.58	B₂	0.958
1071	9.341	4.41	B₂	0.958
1056	9.468	2.24	A₁	0.958
1040	9.614	2.5	A₁	0.958
1032	9.686	2.03	A₁	0.958
999.3	10.01	0.0001	B₂	0.958
982.9	10.17	0	A₂	0.958
979	10.21	0	A₂	0.958
978.4	10.22	0.553	B₁	0.958
969.2	10.32	0	A₂	0.958
968.3	10.33	1.18	B₁	0.958
962.4	10.39	1.84	B₂	0.958
946.3	10.57	0	A₂	0.958
938.7	10.65	3.28	B₁	0.958
932.7	10.72	2.09	B₂	0.958
918.5	10.89	0.681	A₁	0.958
897.4	11.14	15.1	B₁	0.958
897.3	11.15	0	A₂	0.958
881.7	11.34	0	A₂	0.958
881.4	11.35	0.0328	B₂	0.958
875	11.43	57.3	B₁	0.958
859.2	11.64	0	A₂	0.958
848.2	11.79	1.3	A₁	0.958
827.9	12.08	8.38	B₁	0.958
827.8	12.08	0	A₂	0.958
817.8	12.23	0.769	A₁	0.958
814.6	12.28	93.9	B₁	0.958
794.6	12.58	0	A₂	0.958
793.2	12.61	0.0143	B₂	0.958
785.7	12.73	0.969	B₁	0.958
776.8	12.87	0	A₂	0.958
770.2	12.98	1.61	B₂	0.958
763.8	13.09	1.72	B₁	0.958
761.8	13.13	0	A₂	0.958
755.7	13.23	76.4	B₁	0.958
752.9	13.28	0.623	A₁	0.958
748	13.37	0	A₂	0.958
729.7	13.7	0	A₂	0.958
723.3	13.82	0.405	A₁	0.958
716	13.97	3.05	B₁	0.958
714.8	13.99	0.13	B₂	0.958
677.7	14.75	0	A₂	0.958
676.8	14.77	2.1	B₁	0.958
666.6	15	0.291	B₂	0.958
655.1	15.26	0.181	B₂	0.958
649	15.41	5.94	A₁	0.958
640.3	15.62	11.9	B₁	0.958
633	15.8	1.89	A₁	0.958
623.5	16.04	0	A₂	0.958
611.4	16.36	0	A₂	0.958
593.6	16.85	2.86	B₂	0.958
579.2	17.27	0.363	A₁	0.958
565.1	17.7	3.44	B₁	0.958
557.5	17.94	1.41	B₁	0.958
554	18.05	0	A₂	0.958
551.5	18.13	0.0509	B₂	0.958
539.7	18.53	0.438	A₁	0.958
530.4	18.85	3.56	B₁	0.958
527	18.97	0	A₂	0.958
521.2	19.19	5.6	B₂	0.958
511.9	19.54	0.08	A₁	0.958
491.9	20.33	1.94	B₂	0.958
486.5	20.55	0	A₂	0.958
461.7	21.66	0	A₂	0.958
461.5	21.67	0.281	B₂	0.958
455.1	21.97	0.764	B₁	0.958
449.5	22.25	0.694	A₁	0.958
436.3	22.92	1.48	B₁	0.958
429.6	23.28	0.962	A₁	0.958
426.7	23.43	0	B₂	0.958
371.6	26.91	0	A₂	0.958
361.3	27.68	0.145	B₂	0.958
338.1	29.58	0	A₂	0.958
334.4	29.91	0.1	B₁	0.958
307.7	32.49	0.0174	B₁	0.958
301.9	33.13	0	A₂	0.958
294.3	33.98	0.0269	A₁	0.958
284.9	35.09	0.0518	B₂	0.958
273.7	36.54	0.543	A₁	0.958
255.8	39.1	4.22	B₁	0.958
234.8	42.58	0.143	B₁	0.958
206.4	48.46	0	A₂	0.958
185	54.07	0.475	A₁	0.958
184.4	54.23	0.275	B₂	0.958
170.8	58.55	0.287	B₁	0.958
165.2	60.53	0	A₂	0.958
134.7	74.24	1.18	B₁	0.958
120.8	82.78	0	A₂	0.958
82.75	120.9	0.832	B₁	0.958
66.57	150.2	0	A₂	0.958
45.86	218.1	0.531	B₁	0.958
34.8	287.4	0	A₂	0.958
24.09	415	0.0037	B₁	0.958

Vibrations

Note(s):

C40H18 C2v

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