Infrared spectroscopy of organic free radicals related to combustion processes

Technical Report · Thu Feb 25 04:00:00 EST 1993

DOI:https://doi.org/10.2172/10165205· OSTI ID:10165205

Weisshaar, J C

We will explore a variant of resonant two-photon ionization (R2PI). Development of the IR + UV R2PI experiment is underway. We have used optical R2PI and pulsed field ionization detection to obtain vibrational spectra of the benzyl and phenylsilane cations. In benzyl, we have learned about the vibronic coupling in the mixed 1{sup 2}A{sub 2}-2{sup 2}B{sub 2} system near 450 nm by projecting the mixed states onto the manifold of cation vibrational states. In phenylsilane{sup +}, we find that the sixfold barrier to internal rotation of the silyl group is small (V{sub 6}= +19 cm{sup {minus}1}). We are beginning to understand the mechanisms of coupling of torsional states with vibrations, overall rotation, and other electronic states, and we are developing a model of internal rotation in aromatic compounds based on Weinhold`s natural resonance theory. 1 tab, 14 refs.

• Research Organization: Wisconsin Univ., Madison, WI (United States). Dept. of Chemistry
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: FG02-92ER14306
• OSTI ID: 10165205
• Report Number(s): DOE/ER/14306--1; ON: DE93017086
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400800
AROMATICS
BENZYL RADICALS
CATIONS
COMBUSTION
COMBUSTION, PYROLYSIS, AND HIGH-TEMPERATURE CHEMISTRY
INFRARED SPECTRA
MULTI-PHOTON PROCESSES
ORGANIC SILICON COMPOUNDS
PROGRESS REPORT
RADICALS
REACTION INTERMEDIATES
SILANES
VIBRATIONAL STATES