NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3098	3.227	0	A_G	0.958
3098	3.228	0.1936	B_2U	0.958
3097	3.228	88.01	B_1U	0.958
3097	3.229	0	B_3G	0.958
3077	3.25	0	A_G	0.958
3077	3.25	0.6704	B_2U	0.958
3076	3.251	7.861	B_1U	0.958
3075	3.252	0	B_3G	0.958
3069	3.259	0	A_G	0.958
3069	3.259	230.7	B_2U	0.958
3068	3.26	98.1	B_1U	0.958
3067	3.26	0	B_3G	0.958
3065	3.262	0	A_G	0.958
3065	3.262	18.67	B_2U	0.958
3051	3.277	1.755	B_1U	0.958
3051	3.277	0	B_3G	0.958
3051	3.278	0	A_G	0.958
3051	3.278	2.584	B_2U	0.958
3045	3.284	0	A_G	0.958
3044	3.285	0	B_3G	0.958
3044	3.285	3.943	B_1U	0.958
3043	3.287	17.36	B_1U	0.958
1615	6.193	0	A_G	0.958
1615	6.193	0.5321	B_2U	0.958
1611	6.205	5.26	B_1U	0.958
1599	6.252	0	B_3G	0.958
1592	6.282	0	B_3G	0.958
1590	6.289	16.07	B_1U	0.958
1580	6.33	0	A_G	0.958
1580	6.33	3.992	B_2U	0.958
1566	6.386	0	B_3G	0.958
1564	6.394	2.502	B_1U	0.958
1561	6.405	0	B_3G	0.958
1533	6.525	0	A_G	0.958
1522	6.571	28.35	B_2U	0.958
1517	6.594	0	A_G	0.958
1503	6.652	0.7834	B_2U	0.958
1499	6.671	0.0674	B_1U	0.958
1499	6.672	0	B_3G	0.958
1452	6.889	8.936	B_1U	0.958
1451	6.894	0	A_G	0.958
1445	6.922	26.62	B_2U	0.958
1443	6.931	56.3	B_2U	0.958
1439	6.95	0	A_G	0.958
1431	6.987	2.917	B_1U	0.958
1431	6.988	0	B_3G	0.958
1419	7.047	0	B_3G	0.958
1397	7.156	2.22	B_2U	0.958
1391	7.188	0	A_G	0.958
1388	7.203	8.079	B_2U	0.958
1383	7.229	19.26	B_1U	0.958
1379	7.251	0	A_G	0.958
1348	7.421	0	B_3G	0.958
1341	7.455	0.2337	B_1U	0.958
1337	7.482	1.044	B_2U	0.958
1327	7.538	0	A_G	0.958
1318	7.589	0	B_3G	0.958
1316	7.598	30.99	B_2U	0.958
1315	7.606	1.359	B_1U	0.958
1307	7.653	0	A_G	0.958
1288	7.764	0.6223	B_1U	0.958
1287	7.769	0	B_3G	0.958
1287	7.773	0	A_G	0.958
1280	7.813	7.033	B_2U	0.958
1267	7.893	0.227	B_2U	0.958
1259	7.945	0	A_G	0.958
1256	7.963	0	B_3G	0.958
1251	7.993	11.01	B_1U	0.958
1247	8.022	0	B_3G	0.958
1242	8.054	0.2182	B_1U	0.958
1215	8.232	0.3974	B_2U	0.958
1214	8.234	0	A_G	0.958
1210	8.262	0	B_3G	0.958
1195	8.367	8.777	B_2U	0.958
1191	8.398	0	A_G	0.958
1189	8.407	0.3679	B_1U	0.958
1185	8.437	0	B_3G	0.958
1174	8.521	7.575	B_2U	0.958
1164	8.592	0	A_G	0.958
1164	8.594	3.557	B_2U	0.958
1114	8.978	0	B_3G	0.958
1111	9.001	9.231	B_1U	0.958
1089	9.183	0	A_G	0.958
1088	9.189	0.717	B_2U	0.958
1087	9.204	0	B_3G	0.958
1074	9.31	2.489	B_1U	0.958
1058	9.456	0	A_G	0.958
1052	9.507	4.725	B_2U	0.958
998.4	10.02	0	B_3G	0.958
998.2	10.02	0.91	B_1U	0.958
981.2	10.19	0	B_2G	0.958
981.2	10.19	0	A_U	0.958
973	10.28	4.638	B_3U	0.958
972.9	10.28	0	B_1G	0.958
966.6	10.35	0	B_2G	0.958
966.6	10.35	0	A_U	0.958
914.7	10.93	59.09	B_3U	0.958
914.7	10.93	0	B_2G	0.958
912.6	10.96	3.387	B_1U	0.958
910.6	10.98	2.261	B_2U	0.958
906	11.04	0	B_3G	0.958
900.9	11.1	0	B_1G	0.958
897.8	11.14	38.41	B_3U	0.958
895.7	11.16	0	A_U	0.958
891.7	11.21	0	B_2G	0.958
888.3	11.26	0	A_G	0.958
881.4	11.35	0	A_U	0.958
871.1	11.48	0	B_1G	0.958
854	11.71	0	B_2G	0.958
834.1	11.99	1.831	B_2U	0.958
832.2	12.02	133.5	B_3U	0.958
831.9	12.02	0	B_1G	0.958
824.6	12.13	0	A_U	0.958
823.4	12.15	16.64	B_3U	0.958
823.1	12.15	0	B_2G	0.958
800.3	12.5	5.022	B_1U	0.958
795.1	12.58	0	A_G	0.958
766.5	13.05	18.04	B_2U	0.958
766.1	13.05	0	B_2G	0.958
765.3	13.07	0	A_U	0.958
762.8	13.11	0	B_1G	0.958
762.2	13.12	28.71	B_3U	0.958
759.3	13.17	0	A_G	0.958
741.8	13.48	0	B_2G	0.958
741.2	13.49	0	B_3G	0.958
722.8	13.83	0	A_U	0.958
722	13.85	0.7024	B_1U	0.958
716.1	13.96	0	B_2G	0.958
708.2	14.12	0	B_1G	0.958
706.7	14.15	55.8	B_3U	0.958
698	14.33	0	B_3G	0.958
689.7	14.5	0	A_U	0.958
656	15.24	0.067	B_1U	0.958
652.9	15.32	0.0455	B_2U	0.958
652.2	15.33	0	A_G	0.958
613.9	16.29	0	B_2G	0.958
602.2	16.61	0	B_3G	0.958
597.8	16.73	0	A_U	0.958
577.2	17.32	0	B_1G	0.958
573.5	17.44	1.928	B_3U	0.958
571.7	17.49	0	B_3G	0.958
569.8	17.55	0.0474	B_1U	0.958
563.8	17.74	0	A_G	0.958
560.1	17.85	0	B_2G	0.958
559.3	17.88	0	A_U	0.958
556.9	17.96	17.45	B_2U	0.958
553.2	18.08	0	A_G	0.958
508.6	19.66	0	B_3G	0.958
507.7	19.7	2.531	B_1U	0.958
487.9	20.49	0	B_1G	0.958
487.3	20.52	0.7396	B_3U	0.958
457.1	21.88	0	B_3G	0.958
454.8	21.99	8.061	B_3U	0.958
448.9	22.28	0	B_2G	0.958
444.9	22.48	0	B_1G	0.958
441.4	22.66	5.468	B_2U	0.958
440.8	22.69	0.1272	B_1U	0.958
435.5	22.96	0	A_U	0.958
413.1	24.2	0	A_G	0.958
408.3	24.49	0.083	B_3U	0.958
386.4	25.88	0	B_1G	0.958
375.8	26.61	1.448	B_2U	0.958
371.9	26.89	0	A_G	0.958
357.9	27.94	0	B_3G	0.958
341.3	29.3	0	B_2G	0.958
321.2	31.14	0.7532	B_2U	0.958
293.8	34.04	0	A_U	0.958
288.4	34.67	2.798	B_3U	0.958
273.1	36.62	0	B_2G	0.958
253.4	39.46	0.1083	B_1U	0.958
218	45.87	0	B_1G	0.958
217.2	46.03	3.528	B_3U	0.958
192.4	51.98	0	B_1G	0.958
182.8	54.72	0	A_U	0.958
152.5	65.56	0	B_2G	0.958
148	67.57	0	A_G	0.958
142.4	70.23	0	A_U	0.958
137.9	72.52	3.119	B_3U	0.958
131.1	76.25	0	B_3G	0.958
90.8	110.1	0	B_1G	0.958
57.17	174.9	0	B_2G	0.958
54.93	182.1	0.0443	B_1U	0.958
52.45	190.6	0.2883	B_3U	0.958
36.26	275.8	0	B_1G	0.958
19.82	504.5	0.0699	B_3U	0.958
15.1	662.4	0	A_U	0.958

Vibrations

Note(s):

1,18;4,5;9,10;13,14-tetrabenzopyrene

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