NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3120	3.205	0.3646	A₁	0.958
3120	3.205	40.29	B₂	0.958
3114	3.212	12.03	B₁	0.958
3113	3.212	0	A₂	0.958
3109	3.216	0.3255	A₁	0.958
3109	3.216	233.8	B₁	0.958
3098	3.228	0.0205	A₁	0.958
3096	3.23	6.039	B₂	0.958
3095	3.231	6.318	B₁	0.958
3095	3.231	0	A₂	0.958
3095	3.231	22.25	B₂	0.958
3093	3.233	0	A₂	0.958
3087	3.24	0.1195	A₁	0.958
3086	3.24	11.65	B₂	0.958
3078	3.248	0.0218	A₁	0.958
3078	3.248	21.84	B₁	0.958
3075	3.252	8.844	B₂	0.958
3075	3.252	0	A₂	0.958
3068	3.259	0.0105	A₁	0.958
3068	3.259	17.17	B₁	0.958
3066	3.262	17.33	B₂	0.958
3066	3.262	0	A₂	0.958
1591	6.286	44.75	B₂	0.958
1589	6.292	0	A₂	0.958
1578	6.335	9.286	B₂	0.958
1575	6.349	1.11	A₁	0.958
1573	6.359	0	A₂	0.958
1562	6.403	5.145	B₂	0.958
1548	6.462	3.904	B₂	0.958
1546	6.468	21.78	B₁	0.958
1546	6.469	0	A₂	0.958
1527	6.547	0.4254	A₁	0.958
1525	6.557	0	A₂	0.958
1518	6.588	1626	B₁	0.958
1510	6.621	0.1073	A₁	0.958
1502	6.656	1201	B₁	0.958
1484	6.741	0.0253	A₁	0.958
1482	6.749	0	A₂	0.958
1469	6.807	249	B₁	0.958
1459	6.856	0.3945	A₁	0.958
1452	6.886	0.8236	B₁	0.958
1450	6.896	2.084	B₂	0.958
1437	6.957	0	A₂	0.958
1434	6.974	0.1253	B₁	0.958
1408	7.101	0.0154	A₁	0.958
1398	7.152	15.55	B₂	0.958
1397	7.16	0.0227	A₁	0.958
1389	7.197	370.7	B₁	0.958
1381	7.242	0.4303	A₁	0.958
1376	7.266	1794	B₁	0.958
1372	7.291	85.99	B₁	0.958
1368	7.31	0	A₂	0.958
1354	7.383	2.895	B₂	0.958
1353	7.393	1.046	A₁	0.958
1327	7.534	39.52	B₁	0.958
1327	7.537	0	A₂	0.958
1315	7.604	0.8405	A₁	0.958
1311	7.626	0	A₂	0.958
1308	7.644	2.234	B₂	0.958
1294	7.728	1.081	B₁	0.958
1288	7.766	0	A₂	0.958
1281	7.808	17.77	B₂	0.958
1279	7.821	0.2938	A₁	0.958
1278	7.824	0	A₂	0.958
1261	7.929	0.1239	B₂	0.958
1259	7.944	0.0232	A₁	0.958
1255	7.968	570	B₁	0.958
1245	8.032	15.62	B₂	0.958
1227	8.149	0	A₂	0.958
1214	8.238	0	A₂	0.958
1208	8.281	33.04	B₁	0.958
1199	8.341	2.681	B₂	0.958
1196	8.358	0.464	A₁	0.958
1194	8.377	0	A₂	0.958
1187	8.422	13.73	B₁	0.958
1180	8.473	0.0099	A₁	0.958
1179	8.479	99.03	B₁	0.958
1126	8.883	0	A₂	0.958
1124	8.895	0.3599	B₂	0.958
1120	8.931	6.022	B₂	0.958
1107	9.036	0.0644	A₁	0.958
1084	9.226	0.9019	B₁	0.958
1075	9.304	0	A₂	0.958
1026	9.75	0.0208	A₁	0.958
1016	9.843	0.1917	B₁	0.958
1016	9.844	0	A₁	0.958
991.8	10.08	0.1261	B₂	0.958
988.3	10.12	0	B₂	0.958
988.3	10.12	0	A₂	0.958
968.7	10.32	0.0005	B₂	0.958
967.5	10.34	1.449	A₁	0.958
954.5	10.48	0.0347	B₁	0.958
954.5	10.48	11.41	A₁	0.958
942.4	10.61	0.2132	B₂	0.958
913	10.95	0	A₂	0.958
912.6	10.96	0.5493	B₂	0.958
908.7	11	0	A₂	0.958
907.9	11.01	0.0489	B₂	0.958
902.8	11.08	1.764	B₁	0.958
900.6	11.1	127.7	A₁	0.958
885.4	11.29	0	A₂	0.958
884.4	11.31	0.982	B₁	0.958
871.7	11.47	4.915	B₁	0.958
868.5	11.51	0.0485	B₂	0.958
864.8	11.56	0	A₂	0.958
844.4	11.84	2.691	A₁	0.958
842.2	11.87	0.7192	B₁	0.958
836.8	11.95	0.0108	B₂	0.958
836.4	11.96	0.0101	A₁	0.958
834.8	11.98	0	A₂	0.958
812	12.32	0	A₂	0.958
806.9	12.39	0.0064	B₂	0.958
786.7	12.71	60.93	A₁	0.958
773.9	12.92	19.04	B₁	0.958
766.7	13.04	0.0343	A₁	0.958
750.4	13.33	9.481	B₁	0.958
750.2	13.33	0.9067	B₂	0.958
750.2	13.33	0.0475	A₁	0.958
746	13.41	0	A₂	0.958
744.8	13.43	0.3674	B₂	0.958
741.9	13.48	0.0128	B₂	0.958
740.9	13.5	111.2	A₁	0.958
740.7	13.5	0.5968	B₁	0.958
719.6	13.9	0	A₂	0.958
709	14.1	0.1498	B₂	0.958
696.8	14.35	0	A₂	0.958
696.6	14.36	20.72	A₁	0.958
672.2	14.88	0	A₂	0.958
660	15.15	0.0061	B₂	0.958
650.3	15.38	0.0206	A₁	0.958
648.1	15.43	0.0002	B₂	0.958
633	15.8	5.678	B₁	0.958
624.3	16.02	0.0015	A₁	0.958
621.1	16.1	0	A₂	0.958
613.1	16.31	26.81	B₁	0.958
591.6	16.9	1.101	B₁	0.958
564.6	17.71	0.1549	B₂	0.958
547.8	18.26	0	A₂	0.958
544.4	18.37	0	A₂	0.958
531.4	18.82	0.0002	B₂	0.958
522.9	19.13	0	B₂	0.958
513.5	19.48	49.65	B₁	0.958
510.2	19.6	0.0456	B₂	0.958
497.6	20.1	0.0452	A₁	0.958
497.4	20.1	0	A₂	0.958
493.2	20.27	0.1142	A₁	0.958
456.7	21.9	0.0046	B₁	0.958
456	21.93	21.21	A₁	0.958
438.1	22.83	11.02	A₁	0.958
434.5	23.01	0	A₂	0.958
434.2	23.03	0.6079	B₁	0.958
410.9	24.34	0.003	A₁	0.958
404.7	24.71	4.918	B₁	0.958
398.2	25.11	2.808	A₁	0.958
391.6	25.54	2.354	B₁	0.958
385.7	25.93	0.0501	B₂	0.958
385.2	25.96	0	A₂	0.958
349.1	28.65	0.0177	B₂	0.958
333.7	29.97	0.1189	A₁	0.958
302.2	33.09	0.0877	B₁	0.958
298	33.56	0	A₂	0.958
272.3	36.72	0.0077	B₂	0.958
270.7	36.94	1.569	B₁	0.958
254.9	39.24	0	A₂	0.958
219	45.66	0.5916	B₂	0.958
206.2	48.5	3.881	A₁	0.958
179.5	55.7	0.1238	B₁	0.958
168.8	59.24	0.0512	A₁	0.958
165.8	60.31	0	A₂	0.958
142.9	69.99	0.0167	B₂	0.958
129.2	77.4	0	A₂	0.958
116.8	85.58	0.2326	A₁	0.958
114.8	87.12	0	A₂	0.958
102.8	97.28	0.0203	B₁	0.958
64.5	155	0.1797	B₂	0.958
50.41	198.4	1.638	A₁	0.958
40.38	247.7	0.0089	B₁	0.958
37.06	269.8	0.0046	B₂	0.958
27.72	360.7	0	A₂	0.958
6.402	1562	0.1945	A₁	0.958

Vibrations

Note(s):

Apa+ bp86

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