NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3067	3.261	38.53	A₁	0.958
3067	3.261	114.1	B₂	0.958
3065	3.262	61.42	A₁	0.958
3065	3.263	283.4	B₂	0.958
3063	3.264	79.28	A₁	0.958
3063	3.265	15.75	B₂	0.958
3051	3.278	22.57	A₁	0.958
3049	3.279	1.891	A₁	0.958
3049	3.28	2.959	B₂	0.958
3046	3.283	6.875	B₂	0.958
3045	3.284	27.79	A₁	0.958
3045	3.284	16.96	B₂	0.958
3043	3.286	8.19	A₁	0.958
3043	3.286	108.2	B₂	0.958
3041	3.289	0.0267	A₁	0.958
3041	3.289	12.39	B₂	0.958
2887	3.464	4.346	B₁	0.958
2868	3.487	3.128	A₁	0.958
1603	6.239	7.286	A₁	0.958
1594	6.274	81.22	B₂	0.958
1583	6.318	29.7	B₂	0.958
1582	6.322	1.391	A₁	0.958
1568	6.376	92.2	B₂	0.958
1564	6.394	4.439	A₁	0.958
1556	6.425	70.49	B₂	0.958
1554	6.434	0.9263	A₁	0.958
1553	6.441	3.364	A₁	0.958
1546	6.468	0.6713	A₁	0.958
1528	6.543	72.8	B₂	0.958
1522	6.57	10.09	A₁	0.958
1516	6.596	60.82	B₂	0.958
1500	6.665	3.007	B₂	0.958
1491	6.705	5.287	A₁	0.958
1475	6.781	16.47	B₂	0.958
1474	6.784	2.046	A₁	0.958
1464	6.829	3.18	B₂	0.958
1461	6.847	24.32	A₁	0.958
1457	6.862	46.3	B₂	0.958
1449	6.903	32.49	A₁	0.958
1431	6.986	7.541	B₂	0.958
1425	7.018	16.98	B₂	0.958
1425	7.018	24.44	A₁	0.958
1423	7.028	15.21	A₁	0.958
1411	7.086	6.758	A₁	0.958
1406	7.113	37.69	B₂	0.958
1401	7.135	0.4036	A₁	0.958
1389	7.198	4.428	A₁	0.958
1388	7.203	0.3221	B₂	0.958
1381	7.24	4.956	A₁	0.958
1378	7.258	4.842	B₂	0.958
1370	7.298	1.318	B₂	0.958
1368	7.309	0.4673	A₁	0.958
1361	7.345	9.293	B₂	0.958
1360	7.354	36.77	B₂	0.958
1353	7.391	14.79	A₁	0.958
1342	7.45	66.01	A₁	0.958
1337	7.479	17.37	B₂	0.958
1336	7.486	42.5	A₁	0.958
1329	7.524	9.543	B₂	0.958
1326	7.542	283.6	A₁	0.958
1317	7.592	12.28	B₂	0.958
1306	7.657	1.778	A₁	0.958
1299	7.698	3.729	B₂	0.958
1277	7.829	39.61	A₁	0.958
1277	7.831	88.52	B₂	0.958
1251	7.995	45.09	A₁	0.958
1250	8.002	359.7	B₂	0.958
1232	8.116	379.6	B₂	0.958
1232	8.117	55.23	A₁	0.958
1227	8.152	98.73	B₂	0.958
1223	8.177	0.1214	A₁	0.958
1208	8.277	3.012	A₁	0.958
1206	8.292	256.4	B₂	0.958
1194	8.376	2.208	B₂	0.958
1193	8.385	19.63	A₁	0.958
1184	8.445	1.557	A₁	0.958
1184	8.447	0	A₂	0.958
1182	8.457	560.4	B₂	0.958
1171	8.538	17.35	A₁	0.958
1167	8.57	288.7	B₂	0.958
1159	8.625	1.998	B₂	0.958
1152	8.682	3.616	A₁	0.958
1139	8.776	264.5	B₂	0.958
1109	9.019	0.1198	A₁	0.958
1099	9.103	8.87	B₂	0.958
1089	9.186	78.55	B₂	0.958
1074	9.309	0.0243	A₁	0.958
1056	9.472	1.645	A₁	0.958
1022	9.784	105.3	B₂	0.958
976.2	10.24	0.1483	A₁	0.958
970.2	10.31	0.0094	B₁	0.958
969.7	10.31	50.17	B₂	0.958
969.6	10.31	0	A₂	0.958
967.3	10.34	0.016	B₁	0.958
963.7	10.38	0	A₂	0.958
955.2	10.47	0.9461	A₁	0.958
951.3	10.51	0.3945	B₁	0.958
951	10.52	0	A₂	0.958
916.2	10.91	0.4595	A₁	0.958
912.2	10.96	31.64	B₁	0.958
903.7	11.07	5.143	B₂	0.958
882.7	11.33	121.2	B₁	0.958
875.8	11.42	0.006	A₁	0.958
875.6	11.42	0	A₂	0.958
871.5	11.47	42.65	B₁	0.958
847.5	11.8	0	A₂	0.958
846.6	11.81	7.815	B₂	0.958
833.1	12	20.79	B₂	0.958
828	12.08	0.0212	A₁	0.958
823.4	12.15	17.62	B₁	0.958
818.6	12.22	0	A₂	0.958
804	12.44	23.68	B₁	0.958
801.2	12.48	0	A₂	0.958
782.2	12.78	0.2013	B₁	0.958
775.6	12.89	6.113	B₁	0.958
774.9	12.91	8.576	B₂	0.958
774.7	12.91	0	A₂	0.958
771.4	12.96	0.4216	A₁	0.958
769.2	13	0	A₂	0.958
759.3	13.17	0.1642	B₁	0.958
756.6	13.22	25.97	B₂	0.958
750.4	13.33	0	A₂	0.958
748.5	13.36	0.064	A₁	0.958
740.6	13.5	8.082	B₁	0.958
720.1	13.89	0	A₂	0.958
719.6	13.9	13.09	B₂	0.958
713	14.03	2.741	B₁	0.958
701.6	14.25	2.661	A₁	0.958
698.7	14.31	0.6317	B₁	0.958
689.6	14.5	0	A₂	0.958
670.6	14.91	0.2163	B₁	0.958
669.1	14.95	54.87	B₂	0.958
659.1	15.17	0.2989	A₁	0.958
650.2	15.38	1.579	B₂	0.958
619.8	16.14	1.112	A₁	0.958
615.9	16.24	0	A₂	0.958
607.2	16.47	2.02	A₁	0.958
606.6	16.49	2.886	B₁	0.958
601	16.64	56.05	B₂	0.958
598.7	16.7	0	A₂	0.958
591.7	16.9	6.095	B₁	0.958
576.6	17.34	0	A₂	0.958
572.4	17.47	7.635	B₁	0.958
569.7	17.55	7.809	B₂	0.958
564.2	17.72	1.373	A₁	0.958
561.8	17.8	1.34	B₂	0.958
560	17.86	0	A₂	0.958
545.5	18.33	0.6275	A₁	0.958
544.2	18.38	7.534	B₁	0.958
524.3	19.07	0.2678	B₁	0.958
521.9	19.16	0.4318	B₂	0.958
515.3	19.4	2.32	A₁	0.958
513.3	19.48	0	A₂	0.958
496.2	20.15	5.628	B₂	0.958
489.5	20.43	0.3032	B₁	0.958
466.3	21.44	13.98	B₂	0.958
465.9	21.47	0.025	A₁	0.958
458.2	21.83	0	A₂	0.958
427.5	23.39	2.817	B₂	0.958
414.5	24.13	0.1023	A₁	0.958
412.4	24.25	0.5706	B₁	0.958
388.8	25.72	0	A₂	0.958
381	26.25	0.2634	A₁	0.958
372.5	26.85	0.0288	B₁	0.958
358.5	27.89	27.07	B₂	0.958
357.5	27.97	0	A₂	0.958
350.8	28.5	0	A₂	0.958
342.1	29.23	0.3246	B₁	0.958
336.5	29.72	0.0008	A₁	0.958
315.6	31.68	3.163	B₁	0.958
306.4	32.64	0	A₂	0.958
301.8	33.13	117.8	B₂	0.958
280.2	35.69	0.3104	B₁	0.958
263.8	37.91	0.3748	A₁	0.958
257.6	38.82	12.19	B₂	0.958
247.5	40.41	7.169	B₁	0.958
245.9	40.67	0	A₂	0.958
230.5	43.39	5.736	A₁	0.958
212.9	46.97	0	A₂	0.958
187	53.48	0.8594	B₁	0.958
177.5	56.33	0	A₂	0.958
170.7	58.59	0.1814	B₁	0.958
129.7	77.1	0.7351	B₁	0.958
127.1	78.67	0	A₂	0.958
86.81	115.2	0.4103	B₁	0.958
84.34	118.6	0	A₂	0.958
67.89	147.3	3.099	B₁	0.958
39.16	255.4	0	A₂	0.958
38.99	256.5	0.0173	B₁	0.958

Vibrations

Note(s):

Isomer 2 De= 23.45 c47h18b

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

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
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
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, XXX, YYY, 2025 10.3847/1538-4365/ae1c38 — BibTeX - RIS