Tables of the heats of formation and ionization potentials of hydrocarbon radicals

1951 ◽  
Vol 10 ◽  
pp. 336 ◽  
Author(s):  
M. Szwarc
Keyword(s):  
Ionization Potentials ◽  
Heats Of Formation ◽  
Hydrocarbon Radicals

Calculated and observed ionization potentials of unsaturated polycyclic hydrocarbons; calculated heats of formation by several semiempirical s. c. f. m.o. methods

1970 ◽  
Vol 315 (1523) ◽  
pp. 431-442 ◽  
Keyword(s):  
Ionization Potentials ◽  
Photoelectron Spectra ◽  
Heats Of Formation ◽  
Low Resolution ◽  
Unsaturated Hydrocarbons ◽  
Polycyclic Hydrocarbons

The ionization potentials derived from breaks in the low-resolution photoelectron spectra of several polycyclic unsaturated hydrocarbons are reported. The observed ionization potentials are compared with values calculated for semiempirical s. c .f. m. o. procedures. Calculated heats of formation for the molecules are also reported.

scholarly journals Ionization potentials, appearance potentials, and heats of formation of gaseous positive ions

1969 ◽  
Author(s):  
Joseph L Franklin ◽  
J G Dillard ◽  
Henry M Rosenstock ◽  
John T Herron ◽  
Keith Draxl ◽  
...  
Keyword(s):  
Ionization Potentials ◽  
Heats Of Formation ◽  
Positive Ions

scholarly journals Extension of MINDO/3-FORCES Method

2003 ◽  
Vol 58 (2-3) ◽  
pp. 162-166
Author(s):  
J. H. Ali ◽  
M. Shanshal
Keyword(s):  
Dipole Moments ◽  
Ionization Potentials ◽  
Heats Of Formation ◽  
The Third ◽  
Semi Empirical

The semi-empirical MINDO/3-FORCES method is extended to include the third row elements Si, P, S and Cl. The extended method is tested by calculation of heats of formation, dipole moments, and the first ionization potentials of molecules containing S and Cl. The results agree well with the experimental and theoretical values known in the literature.

Free radicals by mass spectrometry. XLIL Ionization potentials and ionic heats of formation for C1—C4 alkyl radicals

1970 ◽  
Vol 48 (6) ◽  
pp. 955-965 ◽  
Author(s):  
F. P. Lossing ◽  
G. P. Semeluk
Keyword(s):  
Free Radicals ◽  
Excited States ◽  
Kinetic Data ◽  
Ionization Potentials ◽  
Heats Of Formation ◽  
Alkyl Radicals ◽  
Fragment Ions ◽  
Vibrational Levels ◽  
Upward Curvature ◽  
Linear Sections

Ionization potentials for C1—C4 alkyl free radicals have been re-measured by electron impact, using an energy-resolved electron beam from a double-hemispherical electrostatic monochromator. From these values and kinetic data for heats of formation of the radicals, ionic heats of formation for C1—C4 alkyl ions have been calculated. New values for the four isomeric butyl ions are given. The ionization efficiency curves for the simpler radicals show linear sections corresponding to excitation of vibrational levels; for larger radicals these segments are not resolved and only a smooth upward curvature is seen. In disagreement with earlier results, no evidence for formation of low-lying excited states of the ions could be found, either for parent or fragment ions.

Sign in / Sign up

Export Citation Format

Share Document