A5080422594- Advanced Chemical Physics Studies
- Atmospheric chemistry and aerosols
- Molecular Spectroscopy and Structure
- Spectroscopy and Laser Applications
- Mass Spectrometry Techniques and Applications
- Photochemistry and Electron Transfer Studies
- Spectroscopy and Quantum Chemical Studies
- Atmospheric Ozone and Climate
- Various Chemistry Research Topics
- Free Radicals and Antioxidants
- Catalysis and Oxidation Reactions
- Catalytic Processes in Materials Science
- Chemical Reactions and Mechanisms
- Molecular Junctions and Nanostructures
- Atomic and Molecular Physics
- Chemical Thermodynamics and Molecular Structure
- Inorganic and Organometallic Chemistry
- Thermochemical Biomass Conversion Processes
- Inorganic Fluorides and Related Compounds
- Analytical Chemistry and Sensors
- Advanced Combustion Engine Technologies
- Electrochemical Analysis and Applications
- Analytical Chemistry and Chromatography
- Catalysis for Biomass Conversion
- Electron and X-Ray Spectroscopy Techniques
University of Colorado Boulder
2013-2024
University of Colorado System
2015-2016
National Renewable Energy Laboratory
1996-2014
Sandia National Laboratories California
2012
Cooperative Institute for Research in Environmental Sciences
2007-2012
Jet Propulsion Laboratory
2007-2012
The University of Texas at Austin
2012
National Institute of Standards and Technology
1978-2010
University of Basel
2007-2009
California Institute of Technology
2001-2009
In this Account we have compiled a list of reliable bond energies that are based on set critically evaluated experiments. A brief description the three most important experimental techniques for measuring is provided. We demonstrate how these data can be applied to yield heats formation organic radicals and enthalpies more than 100 representative molecules.
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThree methods to measure RH bond energiesJoseph Berkowitz, G. Barney Ellison, and David GutmanCite this: J. Phys. Chem. 1994, 98, 11, 2744–2765Publication Date (Print):March 1, 1994Publication History Published online1 May 2002Published inissue 1 March 1994https://pubs.acs.org/doi/10.1021/j100062a009https://doi.org/10.1021/j100062a009research-articleACS PublicationsRequest reuse permissionsArticle Views3187Altmetric-Citations992LEARN ABOUT THESE...
We suggest a chemical model for the composition, structure, and atmospheric processing of organic aerosols. This is stimulated by recent field measurements showing that compounds are significant component The proposed aerosol an ‘inverted micelle’ consisting aqueous core encapsulated in inert, hydrophobic monolayer. materials coat particles surfactants biological origin. propose mechanism which surface layer will be processed reactions with radicals. net result being exposed to oxidizing...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTBond strengths of ethylene and acetyleneKent M. Ervin, Scott Gronert, S. E. Barlow, Mary K. Gilles, Alex G. Harrison, Veronica Bierbaum, Charles H. DePuy, W. C. Lineberger, Barney EllisonCite this: J. Am. Chem. Soc. 1990, 112, 15, 5750–5759Publication Date (Print):July 1, 1990Publication History Published online1 May 2002Published inissue 1 July 1990https://pubs.acs.org/doi/10.1021/ja00171a013https://doi.org/10.1021/ja00171a013research-articleACS...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe C-H Bond Energy of BenzeneGustavo E. Davico, Veronica M. Bierbaum, Charles H. DePuy, G. Barney Ellison, and Robert R. SquiresCite this: J. Am. Chem. Soc. 1995, 117, 9, 2590–2599Publication Date (Print):March 1, 1995Publication History Published online1 May 2002Published inissue 1 March 1995https://pubs.acs.org/doi/10.1021/ja00114a023https://doi.org/10.1021/ja00114a023research-articleACS PublicationsRequest reuse permissionsArticle...
Aerosol particles in the atmosphere have recently been found to contain a large number of chemical elements and high content organic material. The latter property is explicable by an inverted micelle model. aerosol sizes with significant atmospheric lifetimes are same as those single-celled organisms, they predicted interplay aerodynamic drag, surface tension, gravity. We propose that populations such aerosols could afforded environment, means their ability concentrate molecules wide variety...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAn experimental determination of the geometry and electron affinity methyl radicalG. Barney Ellison, P. C. Engelking, W. LinebergerCite this: J. Am. Chem. Soc. 1978, 100, 8, 2556–2558Publication Date (Print):April 1, 1978Publication History Published online1 May 2002Published inissue 1 April 1978https://doi.org/10.1021/ja00476a054RIGHTS & PERMISSIONSArticle Views690Altmetric-Citations208LEARN ABOUT THESE METRICSArticle Views are COUNTER-compliant...
Photodetachment of the three anions CH3O−, CD3O−, and CH3S− by a fixed-frequency argon ion laser at 488 nm subsequent energy analysis photoelectrons yields photoelectron spectra these species. From spectra, electron affinities were determined: E.A.(CH3O) = (1.570±0.022) eV, E.A.(CD3O) (1.552±0.022) E.A.(CH3S) (1.882±0.024) eV. vibrational structure appearing in shifts observed upon deuteration, predominant motion excited neutral photodetachment CH3O− CD3O− is found to be symmetric hydrogen...
A micro-reactor system (approximately 0.5–1 mm inner diameter by 2–3 cm in length) coupled with photoionization mass spectrometry and matrix isolation/infrared spectroscopy diagnostics is described. Short residence time flow reactors (roughly ≤ 100 μs) combined suitable diagnostic tools have the potential to allow observation of unimolecular decomposition processes minimum interference from secondary reactions. However, achieving short times desired requires very small micro-reactors that...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTLaser photoelectron spectrometry of methylene(1-). Singlet-triplet splitting and electron affinity methyleneP. F. Zittel, G. B. Ellison, S. V ONeil, E. Herbst, W. C. Lineberger, P. ReinhardtCite this: J. Am. Chem. Soc. 1976, 98, 12, 3731–3732Publication Date (Print):June 1, 1976Publication History Published online1 May 2002Published inissue 1 June 1976https://pubs.acs.org/doi/10.1021/ja00428a070https://doi.org/10.1021/ja00428a070research-articleACS...
Methyl, methyl-d3, and ethyl hydroperoxide anions (CH3OO-, CD3OO-, CH3CH2OO-) have been prepared by deprotonation of their respective hydroperoxides in a stream helium buffer gas. Photodetachment with 364 nm (3.408 eV) radiation was used to measure the adiabatic electron affinities: EA[CH3OO, X̃ 2A' '] = 1.161 ± 0.005 eV, EA[CD3OO, 1.154 0.004 EA[CH3CH2OO, 1.186 eV. The photoelectron spectra yield values for term energies: ΔE(X̃ '−Ã 2A')[CH3OO] 0.914 2A')[CD3OO] 0.913 2A')[CH3CH2OO] 0.938 A...
We have investigated thermal and electron-induced chemistry of benzene (C6H6) adsorbed on a Au(111) surface. Thermal desorption occurs in three peaks: monolayer at 239 K, bilayer 155 multilayer films 151 K. Electron-induced dissociation (EID) has been reported previously to selectively break single C−H bond molecules present physisorbed layers condensed metal surfaces, we investigate whether EID an incident energy 30 eV can cleanly prepare phenyl (C6H5(a)) groups the surface low temperatures...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPhotoelectron spectroscopy of the phenylnitrene anionMichael J. Travers, Daniel C. Cowles, Eileen P. Clifford, and G. Barney EllisonCite this: Am. Chem. Soc. 1992, 114, 22, 8699–8701Publication Date (Print):October 1, 1992Publication History Published online1 May 2002Published inissue 1 October 1992https://doi.org/10.1021/ja00048a053Request reuse permissionsArticle Views222Altmetric-Citations116LEARN ABOUT THESE METRICSArticle Views are...
The pyrolyses of anisole (C(6)H(5)OCH(3)), d(3)-anisole (C(6)H(5)OCD(3)), and d(8)-anisole (C(6)D(5)OCD(3)) have been studied using a hyperthermal tubular reactor photoionization reflectron time-of-flight mass spectrometer. Gas exiting the is subject to an immediate supersonic expansion after residence time approximately 65 mus. This allows detection highly reactive radical intermediates. Our results confirm that first steps in thermal decomposition are loss methyl group form phenoxy...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPhotoelectron spectroscopy of sulfur-containing anions (SO2-, S3-, and S2O-)Mark R. Nimlos G. Barney EllisonCite this: J. Phys. Chem. 1986, 90, 12, 2574–2580Publication Date (Print):June 1, 1986Publication History Published online1 May 2002Published inissue 1 June 1986https://doi.org/10.1021/j100403a007RIGHTS & PERMISSIONSArticle Views369Altmetric-Citations99LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum full text article...
The pyrolyses of the guaiacols or methoxyphenols (o-, m-, and p-HOC6H4OCH3) have been studied using a heated SiC microtubular (μ-tubular) reactor. decomposition products are detected by both photoionization time-of-flight mass spectroscopy (PIMS) matrix isolation infrared (IR). Gas exiting μ-tubular reactor is subject to free expansion after residence time approximately 50–100 μs. PIMS reveals that, for all three guaiacols, initial step loss methyl radical: HOC6H4OCH3 → HOC6H4O + CH3....
The thermal decompositions of furfural and benzaldehyde have been studied in a heated microtubular flow reactor. pyrolysis experiments were carried out by passing dilute mixture the aromatic aldehydes (roughly 0.1%–1%) entrained stream buffer gas (either He or Ar) through pulsed, SiC reactor that is 2–3 cm long 1 mm diameter. Typical pressures are 75–150 Torr with tube wall temperature range 1200–1800 K. Characteristic residence times 100–200 μsec after which emerges as skimmed molecular...
The pyrolyses of phenol and d5-phenol (C6H5OH C6D5OH) have been studied using a high temperature, microtubular (μtubular) SiC reactor. Product detection is via both photon ionization (10.487 eV) time-of-flight mass spectrometry matrix isolation infrared spectroscopy. Gas exiting the heated reactor (375 K–1575 K) subject to free expansion after residence time in μtubular approximately 50–100 μs. from into vacuum rapidly cools gas mixture allows radicals other highly reactive intermediates. We...
A silicon carbide microtubular reactor has been used to measure branching ratios in the thermal decomposition of furan, C4H4O. The pyrolysis experiments are carried out by passing a dilute mixture furan (approximately 0.01%) entrained stream helium through heated reactor. SiC (0.66 mm i.d., 2 o.d., 2.5 cm long) operates with continuous flow. Experiments were performed inlet pressure 100-300 Torr and wall temperature between 1200 1600 K; characteristic residence times 60-150 μs. unimolecular...
We have measured the infrared absorption spectrum of C(6)H(5), /X (2)A(1), in an Ar matrix at 10 K. The experimental frequencies (cm(-)(1)) and polarizations follow. a(1) modes: 3086, 3072, 3037, 1581, 1441, 1154, 1027, 997, 976, 605; b(1) 972, 874, 706, 657, 416; b(2) 3071, 3060, 1624, 1432, 1321, 1283, 1159, 1063, 587. Three different methods been used for production phenyl radicals. Infrared spectra five deuterated isotopomers, C(6)D(5), p-C(6)H(4)D, p-C(6)HD(4), o-C(6)H(4)D, m-C(6)H(4)D,...
We have measured the photoelectron spectrum of Si−2 and find that molecular electron affinity is EA(Si2)=2.199±0.012 eV. This apparently involves multiple electronic states ion as well several final neutral, Si2. In order to unravel our experimental findings, we carried out ab initio MCSCF+1+2 CI calculations on both species. These suggest there are two nearly degenerate for Si2 Si−2. can fit data by assuming detachment from :X (2Π) [re=2.187 Å] A (2Σ+g) [T0=0.117±0.016 eV, re=2.127 Å]....