Effect of halogen substituents on the gas-phase acidities and electron affinities of methylenes and methylidynes: calculation of heats of formation

1993 ◽  
Vol 97 (4) ◽  
pp. 849-855 ◽  
Author(s):  
C. F. Rodriquez ◽  
A. C. Hopkinson
Keyword(s):  
Gas Phase ◽  
Heats Of Formation ◽  
Electron Affinities

Absolute gas-phase acidities of CH3NH2, C2H5NH2, (CH3)2 NH, and (CH3)3N

1976 ◽  
Vol 54 (10) ◽  
pp. 1624-1642 ◽  
Author(s):  
Gervase I. Mackay ◽  
Ronald S. Hemsworth ◽  
Diethard K. Bohme
Keyword(s):  
Equilibrium Constant ◽  
Gas Phase ◽  
Equilibrium Constants ◽  
Heats Of Formation ◽  
Molecular Orbital Calculations ◽  
Electron Affinities ◽  
Flowing Afterglow ◽  
Experimental Assessment ◽  
Gas Phase Acidity ◽  
Conjugate Bases

The flowing afterglow technique has been employed in measurements of the rate and equilibrium constants at 296 ± 2 K for reactions of the type[Formula: see text]and[Formula: see text]where R1 and R2 may be H, CH3, or C2H5. The equilibrium constant measurements provided absolute values for the intrinsic (gas-phase) acidities of the Brønsted acids CH3NH2, C2H5NH2, (CH3)2NH, and (CH3)3N, the heats of formation of their conjugate bases, and the electron affinities of the corresponding radicals R1R2N. Proton removal energies, ΔG0298/(kcal mol−1), were determined to be 395.7 ± 0.7 for [Formula: see text] 391.7 ± 0.7 for [Formula: see text] 389.2 ± 0.6 for [Formula: see text] and > 396 for [Formula: see text] Heats of formation, ΔH0f.,298, were determined to be 30.5 ± 1.5 for CH3NH−, 21.2 ± 1.5 for C2H5NH−, and 24.7 ± 1.4 for (CH3)2N−. Electron affinities (in kcal mol−1) were determined to be 13.1 ± 3.5 for CH3NH, 17 ± 4 for C2H5NH, and 14.3 ± 3.4 for (CH3)2N. These results quantify earlier conclusions regarding the intrinsic effects of substituents on the gas-phase acidity of amines and provide an experimental assessment of recent molecular orbital calculations of proton removal energies for alkylamines.

Theoretical prediction of proton and electron affinities, gas phase basicities, and ionization energies of sulfinamides

2019 ◽  
Vol 31 (1) ◽  
pp. 411-421
Author(s):  
Masoumeh Ghahremani ◽  
Hamed Bahrami ◽  
Hamed Douroudgari ◽  
Morteza Vahedpour
Keyword(s):  
Theoretical Prediction ◽  
Gas Phase ◽  
Electron Affinities ◽  
Ionization Energies ◽  
Gas Phase Basicities

Relative electron affinities of substituted nitrobenzenes in the gas phase

1983 ◽  
Vol 87 (16) ◽  
pp. 2993-2995 ◽  
Author(s):  
Elaine K. Fukuda ◽  
Robert T. McIver
Keyword(s):  
Gas Phase ◽  
Electron Affinities ◽  
Relative Electron

Gas phase adiabatic electron affinities of cyclopenta-fused polycyclic aromatic hydrocarbons

2008 ◽  
Vol 454 (1-3) ◽  
pp. 30-35 ◽  
Author(s):  
Petar D. Todorov ◽  
Carola Koper ◽  
Joop H. van Lenthe ◽  
Leonardus W. Jenneskens
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Gas Phase ◽  
Aromatic Hydrocarbons ◽  
Electron Affinities ◽  
Polycyclic Aromatic

Electron affinities, gas phase acidities, and potential energy curves: Benzene

2007 ◽  
Vol 107 (5) ◽  
pp. 1115-1125 ◽  
Author(s):  
A. F. Jalbout ◽  
B. Trzaskowski ◽  
E. C. M. Chen ◽  
E. S. Chen ◽  
Ludwik Adamowicz
Keyword(s):  
Potential Energy ◽  
Gas Phase ◽  
Potential Energy Curves ◽  
Electron Affinities

Photodetachment of electrons from enolate anions. Gas phase electron affinities of enolate radicals

1977 ◽  
Vol 99 (22) ◽  
pp. 7203-7209 ◽  
Author(s):  
Albert H. Zimmerman ◽  
Kenneth J. Reed ◽  
John I. Brauman
Keyword(s):  
Gas Phase ◽  
Electron Affinities
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