NASA Ames PAH IR Spectroscopic Database

You need a browser with JavaScript support in order to view the molecule in 3D

C₁₈H₁₂

uid	291

Transitions — Left-clk & drag: Zoom; Right-clk: reset

This species has a counterpart in the theoretical library

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]
3064	3.264	126.4
1946	5.138	4.575
1601	6.245	6.622
1523	6.565	1.144
1491	6.709	12.64
1430	6.994	18.06
1302	7.679	2.288
1271	7.87	2.288
1264	7.911	10.23
1236	8.091	4.575
1193	8.379	4.575
1163	8.6	0.4575
1036	9.654	7.826
945.9	10.57	2.288
880.1	11.36	3.431
861.8	11.6	9.03
852.7	11.73	1.144
812.6	12.31	55.99
761	13.14	114.4
682.4	14.65	12.64
578.9	17.27	2.288
552.9	18.09	3.431
534.8	18.7	4.575

Note(s):

The reported total integrated absorption cross-section for the CH_str band located around 3000 cm^-1 (3.3 μm) was established by disregarding any substructure seen in the band and simply integrating the entire feature, including any close-by bands.
Chrysene

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