NASA Ames PAH IR Spectroscopic Database

Laboratory Gas Phase Spectrum

Details

Facility	Canadian Synchrotron
Instrument	Bruker IFS 215
Radiation	Globar
Temperature	304 K
Pressure	0.0071 Torr
Path Length	72
Resolution	0.00096 cm^-1
Scans	143

Comment(s)

1,5-diazabicyclo 4,3,0 non-5-ene

Reference(s)

Bejaoui, S., Billinghurst, B.E., Boersma, C., Esposito, V.J., "Experimental and Anharmonic Theoretical Spectroscopic Benchmarks of Nitrogenated and Doubly-Nitrogenated Polycyclic Heterocycles", 2026, MNRAS, 545, 2 doi:10.1093/mnras/staf1901

Lab — Left-clk & Shift: drag to zoom; Left-clk + Ctrl: Pan; Right-clk: Reset.

Recorded gas-phase spectrum re-sampled onto a fixed 0.01 cm^-1 grid via averaging. The interactive spectrum is displayed with a maximum of 2,048 points employing an adaptive step size.

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

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, 282, 7, 2025 10.3847/1538-4365/ae1c38 — 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
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