NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3048	3.281	0	A_G	0.958
3047	3.282	532	B_2U	0.958
3046	3.283	321	B_1U	0.958
3046	3.284	0	B_3G	0.958
3044	3.286	0	A_G	0.958
3043	3.286	14.82	B_2U	0.958
3034	3.296	0	A_G	0.958
3033	3.297	139.1	B_1U	0.958
3029	3.302	0	B_3G	0.958
3028	3.302	2.101	B_2U	0.958
3026	3.304	3.973	B_1U	0.958
3026	3.304	0	A_G	0.958
3023	3.308	0	B_3G	0.958
3023	3.308	30.06	B_1U	0.958
3021	3.31	35.38	B_2U	0.958
3021	3.31	0	A_G	0.958
3020	3.311	0	B_3G	0.958
3020	3.311	2.726	B_1U	0.958
1598	6.259	0	B_3G	0.958
1592	6.28	1.244	B_2U	0.958
1591	6.284	0	A_G	0.958
1589	6.292	15	B_1U	0.958
1571	6.364	37.01	B_1U	0.958
1571	6.365	0	A_G	0.958
1570	6.37	303	B_2U	0.958
1561	6.406	0	A_G	0.958
1549	6.456	0	B_3G	0.958
1540	6.492	0	B_3G	0.958
1523	6.565	0.0131	B_2U	0.958
1518	6.588	14.76	B_1U	0.958
1507	6.635	7.1	B_1U	0.958
1507	6.636	0	B_3G	0.958
1487	6.725	0	B_3G	0.958
1486	6.731	59.49	B_1U	0.958
1472	6.794	0	A_G	0.958
1459	6.855	0	A_G	0.958
1456	6.868	126.8	B_2U	0.958
1456	6.869	0	B_3G	0.958
1442	6.935	209.2	B_2U	0.958
1431	6.986	5.734	B_1U	0.958
1431	6.989	9.06	B_2U	0.958
1423	7.029	1.72	B_1U	0.958
1422	7.031	0	A_G	0.958
1415	7.067	0	B_3G	0.958
1406	7.115	0	A_G	0.958
1404	7.12	0	B_3G	0.958
1402	7.134	5	B_2U	0.958
1380	7.248	6.248	B_2U	0.958
1379	7.25	0	A_G	0.958
1378	7.259	0	B_3G	0.958
1377	7.262	11.93	B_1U	0.958
1368	7.311	24.72	B_2U	0.958
1366	7.319	0	B_3G	0.958
1363	7.338	17.11	B_1U	0.958
1362	7.342	0	A_G	0.958
1353	7.393	0	A_G	0.958
1348	7.418	0.241	B_2U	0.958
1331	7.511	3.939	B_2U	0.958
1329	7.522	0	A_G	0.958
1324	7.553	0	B_3G	0.958
1316	7.598	3.735	B_1U	0.958
1312	7.622	0	A_G	0.958
1301	7.686	1101	B_2U	0.958
1291	7.747	55.97	B_1U	0.958
1267	7.895	0.1011	B_1U	0.958
1266	7.897	0	B_3G	0.958
1253	7.978	0	A_G	0.958
1250	8	0.2412	B_2U	0.958
1241	8.058	0	B_3G	0.958
1222	8.186	0	B_3G	0.958
1220	8.195	0.6519	B_1U	0.958
1218	8.21	140.1	B_2U	0.958
1209	8.274	0	A_G	0.958
1207	8.287	131	B_2U	0.958
1194	8.373	0	A_G	0.958
1191	8.394	0.4186	B_1U	0.958
1176	8.505	0.9691	B_2U	0.958
1175	8.511	0	B_3G	0.958
1161	8.615	0	A_G	0.958
1153	8.675	0.0075	B_2U	0.958
1148	8.71	0	B_3G	0.958
1146	8.729	0	A_G	0.958
1133	8.826	12.33	B_1U	0.958
1118	8.942	12.79	B_2U	0.958
1112	8.997	0	B_3G	0.958
1106	9.041	12.49	B_1U	0.958
1055	9.475	0	A_G	0.958
1036	9.653	0	A_G	0.958
1023	9.776	1.938	B_2U	0.958
1008	9.918	0	B_3G	0.958
977.6	10.23	4.429	B_2U	0.958
953.3	10.49	0	B_2G	0.958
953.1	10.49	0	A_U	0.958
949.5	10.53	0.1993	B_3U	0.958
949.5	10.53	0	B_1G	0.958
945.7	10.57	0	A_G	0.958
927.4	10.78	0	B_2G	0.958
927.4	10.78	0	A_U	0.958
917.7	10.9	0	B_3G	0.958
894	11.19	0.824	B_1U	0.958
884.2	11.31	2.275	B_1U	0.958
869.4	11.5	0	B_2G	0.958
867.2	11.53	213.7	B_3U	0.958
854.2	11.71	2.321	B_2U	0.958
852	11.74	0	B_1G	0.958
849.1	11.78	0	A_U	0.958
830.6	12.04	62.04	B_3U	0.958
822.5	12.16	0.0145	B_1U	0.958
820.8	12.18	0	B_1G	0.958
811.8	12.32	0	B_2G	0.958
798.3	12.53	0	A_U	0.958
792.9	12.61	2.823	B_3U	0.958
790.4	12.65	0	B_2G	0.958
789.5	12.67	0	B_3G	0.958
775.9	12.89	0	A_U	0.958
775	12.9	0	A_G	0.958
773.8	12.92	7.042	B_2U	0.958
766.8	13.04	0	B_2G	0.958
766.1	13.05	0	B_1G	0.958
761	13.14	0.2836	B_3U	0.958
760.5	13.15	0.0604	B_1U	0.958
752.7	13.29	3.328	B_3U	0.958
752.5	13.29	0	B_2G	0.958
744	13.44	0	B_1G	0.958
737.1	13.57	0	B_3G	0.958
737.1	13.57	0	A_U	0.958
731.4	13.67	0	A_G	0.958
724.1	13.81	2.182	B_3U	0.958
697.8	14.33	0.8135	B_1U	0.958
697	14.35	0	B_2G	0.958
691.8	14.46	0	B_1G	0.958
681.7	14.67	0	B_3G	0.958
675.7	14.8	0	A_G	0.958
652.2	15.33	0.0612	B_1U	0.958
649.1	15.41	0	A_U	0.958
646.2	15.48	11.43	B_2U	0.958
637.8	15.68	0	B_2G	0.958
635	15.75	0.0036	B_1U	0.958
634	15.77	0	B_3G	0.958
630.9	15.85	0	A_U	0.958
620.6	16.11	0	B_2G	0.958
597.3	16.74	15.1	B_3U	0.958
596.2	16.77	0	B_3G	0.958
582.5	17.17	0	A_U	0.958
578.1	17.3	0	B_1G	0.958
572.6	17.46	0	B_2G	0.958
568.1	17.6	0	B_3G	0.958
548.9	18.22	2.668	B_2U	0.958
536.9	18.63	9.91	B_3U	0.958
532.2	18.79	0	B_1G	0.958
529	18.9	0	A_G	0.958
523.1	19.12	1.352	B_1U	0.958
520.4	19.21	1.272	B_3U	0.958
502.7	19.89	4.03	B_2U	0.958
490.3	20.4	0	A_U	0.958
485	20.62	0	B_1G	0.958
484.2	20.65	1.303	B_1U	0.958
482.2	20.74	0	B_3G	0.958
481.2	20.78	0	B_2G	0.958
455.4	21.96	0	A_G	0.958
447.9	22.33	27.74	B_2U	0.958
412.3	24.25	0	A_G	0.958
404.4	24.73	8.703	B_2U	0.958
401	24.94	0.36	B_3U	0.958
393.5	25.41	0	A_U	0.958
380.6	26.28	0	A_G	0.958
377	26.52	2.039	B_3U	0.958
373.2	26.8	0.4447	B_1U	0.958
369.5	27.07	1.241	B_2U	0.958
365.9	27.33	0	B_2G	0.958
354.6	28.2	0	B_3G	0.958
352.6	28.36	0	B_1G	0.958
316.5	31.59	0	A_U	0.958
306.9	32.58	0	B_2G	0.958
288.7	34.63	0	B_1G	0.958
268.1	37.3	0	A_U	0.958
267.6	37.37	0	B_2G	0.958
263.7	37.92	0.2223	B_3U	0.958
248	40.33	0	B_3G	0.958
230.9	43.32	0	A_G	0.958
227.5	43.96	0	B_2G	0.958
195.1	51.25	0	B_1G	0.958
193.8	51.61	2.284	B_3U	0.958
161.5	61.93	6.505	B_1U	0.958
150.8	66.32	0	A_U	0.958
132.3	75.57	0.0964	B_3U	0.958
127.2	78.64	0	B_1G	0.958
99.9	100.1	0.9998	B_3U	0.958
84.14	118.8	0	B_2G	0.958
76.4	130.9	0	B_1G	0.958
35.93	278.3	0	A_U	0.958
30	333.3	0.1469	B_3U	0.958

Vibrations

Note(s):

Circumtetracene-

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