NASA Ames PAH IR Spectroscopic Database

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

C₂₀H₁₂

uid	389
scaling factor	0.958

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

This species has a counterpart in the experimental library

Details

Bauschlicher, Jr., C.W., Hudgins, D.M., Allamandola, L.J., "The Infrared Spectra of Polycyclic Aromatic Hydrocarbons Containing a Five-membered Ring: Symmetry breaking and the B3LYP Functional", 1999, Theor. Chem. Acc., 103, 154 doi:10.1007/s002140050526

v2.00 Oct 29, 2013:
- vibrations updated
v1.32 Jun 01, 2013:
- properties updated
- transitions updated
- geometry updated
- vibrations updated
v1.11 Apr 16, 2010:
- properties updated
- transitions updated
v1.10 Oct 14, 2009:
- properties updated
- transitions updated
v1.00 Dec 02, 2008:
- added

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