Spectroscopy of CH sub 3 CO sup minus and CH sub 3 CO

Journal Article · Mon Nov 27 04:00:00 EST 1989 · Journal of the American Chemical Society; (USA)

DOI:https://doi.org/10.1021/ja00202a001· OSTI ID:6708584

Nimlos, M R; Ellison, G B ^[1]; Soderquist, J A ^[2]

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1. Univ. of Colorado, Boulder (USA)
2. Univ. of Puerto Rico, Rio Piedras (Puerto Rico)

The authors have measured the photoelectron spectra of CH{sub 3}CO{sup {minus}} and CH{sub 2}DCO{sup {minus}} and find the following electron affinities: EA(CH{sub 3}CO) = 0.423 {plus minus} 0.037 eV and EA(CH{sub 2}DCO) = 0.418 {plus minus} 0.038 eV. The spectra show excitation in the C-C-O bending vibration of the radical, and we have measured the following bending frequencies: {nu}{sub 11}(CH{sub 3}CO) = 490 {plus minus} 30 cm{sup {minus}1}, {nu}{sub 11}(CH{sub 2}DCO) = 500 {plus minus} 50 cm{sup {minus}1}, and {nu}{sub 11}(CH{sub 3}CO{sup {minus}}) = 570 {plus minus} 180 cm{sup {minus}1}. From a Franck-Condon analysis of the vibronic peak intensities we have estimated these C-C-O bond angles for the acetyl anion and radical: {alpha}(CCO)(CH{sub 3}CO{sup {minus}}) = 110 {plus minus} 5{degree} and {alpha}(CCO)(CH{sub 3}CO) = 133 {plus minus} 5{degree}. Finally, the electron affinities we have measured can be used to determine the thermodynamic parameters.

• OSTI ID: 6708584
• Journal Information: Journal of the American Chemical Society; (USA), Journal Name: Journal of the American Chemical Society; (USA) Vol. 111:20; ISSN 0002-7863; ISSN JACSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400200* -- Inorganic
Organic
& Physical Chemistry
400800 -- Combustion
Pyrolysis
& High-Temperature Chemistry
ACETYL RADICALS
ACYL RADICALS
CALCULATION METHODS
DATA
DATA ANALYSIS
ELECTRON SPECTROSCOPY
ENERGY LEVELS
EXCITED STATES
EXPERIMENTAL DATA
INFORMATION
MEASURING INSTRUMENTS
MEASURING METHODS
NUMERICAL DATA
PHOTOELECTRON SPECTROSCOPY
RADICALS
SPECTROSCOPY
VIBRATIONAL STATES