Determination of electron affinities of radicals and bond dissociation energies by electron-attachment studies at thermal energies--electron affinity of acetate radical

1968 ◽  
Vol 72 (7) ◽  
pp. 2671-2675 ◽  
Author(s):  
W. E. Wentworth ◽  
Edward Chen ◽  
Joe C. Steelhammer
Keyword(s):  
Electron Affinity ◽  
Electron Attachment ◽  
Bond Dissociation Energies ◽  
Electron Affinities ◽  
Bond Dissociation ◽  
Dissociation Energies

scholarly journals Density Functional Study of Structures and Electron Affinities of BrO4F/BrO4F-

2009 ◽  
Vol 10 (7) ◽  
pp. 3128-3148 ◽  
Author(s):  
Liangfa Gong ◽  
Jieming Xiong ◽  
Xinmin Wu ◽  
Chuansong Qi ◽  
Wei Li ◽  
...  
Keyword(s):  
Electron Affinity ◽  
Density Functional ◽  
Basis Sets ◽  
Functional Study ◽  
Bond Dissociation Energies ◽  
Electron Affinities ◽  
Dft Methods ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
B3lyp Method

The structures, electron affinities and bond dissociation energies of BrO4F/BrO4F− species have been investigated with five density functional theory (DFT) methods with DZP++ basis sets. The planar F-Br…O2…O2 complexes possess 3A' electronic state for neutral molecule and 4A' state for the corresponding anion. Three types of the neutral-anion energy separations are the adiabatic electron affinity (EAad), the vertical electron affinity (EAvert), and the vertical detachment energy (VDE). The EAad value predicted by B3LYP method is 4.52 eV. The bond dissociation energies De (BrO4F → BrO4-mF + Om) (m = 1-4) and De- (BrO4F- → BrO4-mF- + Om and BrO4F- → BrO4-mF + Om-) are predicted. The adiabatic electron affinities (EAad) were predicted to be 4.52 eV for F-Br…O2…O2 (3A'← 4A') (B3LYP method).

Determination of bond dissociation energies from dissociative thermal electron attachment

1989 ◽  
Vol 93 (18) ◽  
pp. 6827-6832 ◽  
Author(s):  
Edward C. M. Chen ◽  
Keith Albyn ◽  
Laurie Dussack ◽  
W. E. Wentworth
Keyword(s):  
Electron Attachment ◽  
Bond Dissociation Energies ◽  
Thermal Electron ◽  
Bond Dissociation ◽  
Dissociation Energies

Electron affinities of a homologous series of tertiary alkyl radicals and their C–H bond dissociation energies (BDEs)

Tetrahedron ◽  
2009 ◽  
Vol 65 (8) ◽  
pp. 1655-1659 ◽  
Author(s):  
Panayiotis S. Petrou ◽  
Athanassios V. Nicolaides
Keyword(s):  
Homologous Series ◽  
Bond Dissociation Energies ◽  
Electron Affinities ◽  
Alkyl Radicals ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Tertiary Alkyl

Experimental methods for measurement of bond dissociation energies and heats of formation of radicals

1951 ◽  
Vol 207 (1088) ◽  
pp. 5-13 ◽  
Keyword(s):  
Experimental Methods ◽  
Experimental Results ◽  
Heats Of Formation ◽  
Bond Dissociation Energies ◽  
Carrier Gas ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Kinetics Of

The paper describes a pyrolytic method of investigating the kinetics of gaseous reactions in which toluene is used as a carrier gas. It is shown that the method is particularly suitable for the determination of bond dissociation energies. The scope of the method is illustrated by various examples. A list of bond dissociation energies obtained is given. The manner in which the experimental results obtained can be cross-checked, is indicated and illustrated by examples. The effects of various constitutional factors on the bond dissociation energies are discussed.

Experimental and computational studies of deuterated ethanols: gas-phase acidities, electron affinities and bond dissociation energies

1993 ◽  
Vol 123 (3) ◽  
pp. 171-185 ◽  
Author(s):  
Thuy Thanh Dang ◽  
Edwin L. Motell ◽  
Michael J. Travers ◽  
Eileen P. Clifford ◽  
G. Barney Ellison ◽  
...  
Keyword(s):  
Gas Phase ◽  
Computational Studies ◽  
Bond Dissociation Energies ◽  
Electron Affinities ◽  
Bond Dissociation ◽  
Dissociation Energies

Structures and thermochemistry of ions formed by methane chemical ionization of Fe(CO)5. Site of protonation and determination of FeH and FeCO bond dissociation energies of HFe(CO)n+ ions

1993 ◽  
Vol 28 (12) ◽  
pp. 1547-1554 ◽  
Author(s):  
Dag Ekeberg ◽  
Solveig Isaksen Hagen ◽  
Georg Hvistendahl ◽  
Christian Schulze ◽  
Einar Uggerud ◽  
...  
Keyword(s):  
Chemical Ionization ◽  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Methane Chemical Ionization
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