NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3129	3.196	0	A	0.958
3129	3.196	102.9	B₁	0.958
3127	3.198	34.24	B₂	0.958
3127	3.198	0.1604	B₃	0.958
3121	3.204	0	A	0.958
3121	3.204	23.69	B₂	0.958
3110	3.216	0.3244	B₁	0.958
3109	3.217	0	A	0.958
3106	3.219	0.0392	B₃	0.958
3105	3.221	0.0441	B₂	0.958
3101	3.225	1.662	B₁	0.958
3101	3.225	0.0188	B₃	0.958
3082	3.244	0	A	0.958
3082	3.245	39.44	B₁	0.958
3079	3.247	21.37	B₂	0.958
3079	3.248	0	A	0.958
3078	3.249	0.2063	B₃	0.958
3078	3.249	8.183	B₁	0.958
1580	6.329	0	A	0.958
1579	6.331	0.2702	B₁	0.958
1579	6.332	72.22	B₂	0.958
1575	6.348	0.2291	B₃	0.958
1573	6.357	0	A	0.958
1562	6.402	3.233	B₁	0.958
1561	6.406	0.4705	B₃	0.958
1559	6.415	188.2	B₂	0.958
1555	6.429	0	A	0.958
1549	6.457	878.1	B₁	0.958
1523	6.564	14.56	B₂	0.958
1521	6.575	0.1332	B₃	0.958
1515	6.6	0	A	0.958
1497	6.68	28.68	B₁	0.958
1490	6.71	0.457	B₂	0.958
1482	6.746	140.4	B₁	0.958
1475	6.778	5.944	B₂	0.958
1452	6.887	0.0232	B₃	0.958
1451	6.892	0	A	0.958
1442	6.934	0.8397	B₃	0.958
1437	6.959	0.0108	B₃	0.958
1431	6.987	0	A	0.958
1396	7.162	0.3852	B₁	0.958
1394	7.174	31.93	B₂	0.958
1392	7.182	0.0735	B₃	0.958
1388	7.207	0	A	0.958
1379	7.253	9.062	B₁	0.958
1374	7.278	77.26	B₁	0.958
1374	7.28	38.39	B₂	0.958
1359	7.359	10.6	B₂	0.958
1341	7.46	0	A	0.958
1334	7.497	0.0221	B₃	0.958
1331	7.512	0	A	0.958
1328	7.529	19.21	B₁	0.958
1324	7.554	23.59	B₂	0.958
1308	7.645	259.7	B₂	0.958
1306	7.659	0.1591	B₃	0.958
1303	7.673	170.1	B₂	0.958
1302	7.682	0	A	0.958
1289	7.757	800.4	B₁	0.958
1280	7.812	0	A	0.958
1276	7.838	0.1311	B₃	0.958
1258	7.949	26.38	B₂	0.958
1248	8.014	0	A	0.958
1240	8.062	0.0171	B₃	0.958
1236	8.091	0.8561	B₂	0.958
1228	8.146	0.0002	B₃	0.958
1224	8.172	16.37	B₂	0.958
1223	8.178	827.9	B₁	0.958
1221	8.192	0	A	0.958
1182	8.461	0.0318	B₃	0.958
1176	8.505	0.1984	B₂	0.958
1175	8.514	9.232	B₁	0.958
1140	8.769	0	A	0.958
1135	8.813	0.0668	B₁	0.958
1122	8.915	3.466	B₂	0.958
1113	8.985	0.1609	B₃	0.958
1106	9.043	2.717	B₁	0.958
1103	9.066	0	A	0.958
1085	9.213	5.335	B₂	0.958
1081	9.253	0	A	0.958
1080	9.261	0.0568	B₃	0.958
1077	9.287	456.9	B₁	0.958
1012	9.877	0.5915	B₁	0.958
996.7	10.03	0.7452	B₃	0.958
994.6	10.05	0.0089	B₁	0.958
993.9	10.06	0.0006	B₂	0.958
990.3	10.1	0	A	0.958
988.3	10.12	0	A	0.958
987.5	10.13	1.105	B₁	0.958
986.6	10.14	0.2457	B₃	0.958
985.4	10.15	0.0017	B₂	0.958
952.9	10.49	0.9264	B₃	0.958
926.3	10.8	9.201	B₂	0.958
914.2	10.94	0.3905	B₁	0.958
910.9	10.98	0	A	0.958
908	11.01	0.2099	B₃	0.958
900.9	11.1	0.0403	B₂	0.958
900.1	11.11	0.0734	B₁	0.958
896.5	11.15	0	A	0.958
879.1	11.38	0	A	0.958
838.8	11.92	0.1404	B₂	0.958
829	12.06	0	A	0.958
825.1	12.12	0.04	B₃	0.958
820.7	12.18	2.401	B₂	0.958
819.4	12.2	0.5456	B₃	0.958
819	12.21	0	A	0.958
818.9	12.21	43.22	B₁	0.958
796.2	12.56	1.253	B₁	0.958
792	12.63	0.6382	B₂	0.958
781.7	12.79	0.3082	B₃	0.958
779.3	12.83	267	B₃	0.958
765.9	13.06	0.8898	B₂	0.958
757.9	13.19	0.0964	B₃	0.958
748.9	13.35	0	A	0.958
742.9	13.46	0.1113	B₃	0.958
741.4	13.49	0.143	B₁	0.958
730.3	13.69	0.1186	B₂	0.958
728.4	13.73	20.86	B₃	0.958
727.3	13.75	0	A	0.958
686.5	14.57	0.0695	B₂	0.958
680.4	14.7	0.0872	B₂	0.958
676.3	14.79	82.14	B₁	0.958
669.1	14.94	5.381	B₁	0.958
664.8	15.04	0	A	0.958
645.9	15.48	0	A	0.958
642.7	15.56	0.2439	B₃	0.958
622.8	16.06	0.0001	B₂	0.958
621	16.1	0	A	0.958
620	16.13	0.0089	B₃	0.958
617.3	16.2	0.0925	B₃	0.958
616.3	16.23	1.34	B₁	0.958
593.3	16.86	10.5	B₂	0.958
587.8	17.01	93.54	B₁	0.958
551.3	18.14	1.027	B₁	0.958
547.8	18.26	0.3199	B₂	0.958
547.4	18.27	0.5578	B₁	0.958
541.9	18.46	0	A	0.958
540	18.52	0.5905	B₃	0.958
538.2	18.58	0.0552	B₂	0.958
515	19.42	2.238	B₃	0.958
506.5	19.74	0.0012	B₃	0.958
506.3	19.75	0	A	0.958
485.3	20.61	0.0792	B₂	0.958
479.3	20.86	0.0059	B₃	0.958
464.3	21.54	0.5086	B₁	0.958
451.7	22.14	0.5221	B₃	0.958
446.3	22.41	0	A	0.958
438.2	22.82	0.1957	B₂	0.958
392.2	25.5	2	B₁	0.958
383	26.11	0.5066	B₁	0.958
374.4	26.71	0.003	B₂	0.958
349	28.65	0.0519	B₂	0.958
348	28.73	0.0804	B₂	0.958
339.9	29.42	0	A	0.958
339	29.5	0	A	0.958
322.7	30.99	0.0796	B₃	0.958
292.4	34.2	0	A	0.958
287.6	34.78	0.0261	B₃	0.958
275	36.37	4.381	B₃	0.958
274	36.49	0	A	0.958
263.1	38.01	0.7424	B₂	0.958
262.4	38.11	32.89	B₁	0.958
206.7	48.38	0.135	B₁	0.958
205.9	48.57	0.0024	B₂	0.958
173.8	57.54	0	A	0.958
119.1	83.98	0.1345	B₁	0.958
117.6	85.04	0.5806	B₃	0.958
113.5	88.11	0.0447	B₂	0.958
110.9	90.2	0	A	0.958
108.1	92.54	0.2263	B₃	0.958
103.1	96.95	0.0111	B₁	0.958
81.7	122.4	5.318	B₃	0.958
23.97	417.1	0.0003	B₂	0.958
14.4	694.6	0	A	0.958
9.345	1070	0.0174	B₃	0.958

Vibrations

Note(s):

C42H18+ with sym

You are kindly asked to consider the following references for citation when using the database:

C.W. Bauschlicher, Jr., A. Ricca, C. Boersma, L.J. Allamandola, "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
C. Boersma, C.W. Bauschlicher, Jr., A. Ricca, A.L. Mattioda, J. Cami, E. Peeters, F. Sánchez de Armas, G. Puerta Saborido, D.M. Hudgins, and L.J. Allamandola, "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