New Theoretical and Experimental Proton Affinities for Methyl Halides and Diazomethane: A Revision of the Methyl Cation Affinity Scale

1994 ◽  
Vol 98 (50) ◽  
pp. 13099-13101 ◽  
Author(s):  
Mikhail N. Glukhovtsev ◽  
Jan E. Szulejko ◽  
T. B. McMahon ◽  
James W. Gauld ◽  
Anthony P. Scott ◽  
...  
Keyword(s):  
Proton Affinities ◽  
Methyl Halides ◽  
Cation Affinity ◽  
Methyl Cation

Proton affinities of the hydrogen, methyl, and trifluoromethyl halides from pulsed electron beam high pressure mass spectrometric equilibria measurements

1985 ◽  
Vol 63 (11) ◽  
pp. 3160-3167 ◽  
Author(s):  
T. B. McMahon ◽  
P. Kebarle
Keyword(s):  
High Pressure ◽  
Electron Beam ◽  
Mass Spectrometric ◽  
Proton Affinities ◽  
Methyl Halides ◽  
Hydrogen Halides ◽  
Pulsed Electron Beam ◽  
Linear Correlations ◽  
Mass Spectrometric Techniques ◽  
Methyl Cation

Pulsed electron beam high pressure mass spectrometric techniques have been used to investigate proton transfer equilibria involving hydrogen and trifluoromethyl halides. Methyl cation transfer equilibria have also been used to determine methyl cation affinities of hydrogen halides. Proton affinities obtained are HCl = 137.5, HBr = 142.9, Hl = 150.9, CF3Cl = 139.0, CF3Br = 141.3, and CF3l = 150.4 kcal mol−1. Methyl cation affinities obtained are HF = 15 ± 2, HCl = 19.8, HBr = 21.3, and Hl = 31.1 kcal mol−1. The values of methyl cation affinity of hydrogen halides can in turn be used to calculate proton affinities of the methyl halides of CH3Cl = 160.8; CH3Br = 164.8; and CH3l = 171 kcal mol−1. Linear correlations are found between proton affinities and valence ionization potentials and between proton affinities and methyl cation affinities.

Methyl Cation Affinity vs Proton Affinity in Substituted Benzenes:  An ab Initio Study

1998 ◽  
Vol 102 (17) ◽  
pp. 2981-2987 ◽  
Author(s):  
Zvonimir B. Maksić ◽  
Mirjana Eckert-Maksić ◽  
Andrea Knežević
Keyword(s):  
Ab Initio ◽  
Proton Affinity ◽  
Ab Initio Study ◽  
Substituted Benzenes ◽  
Cation Affinity ◽  
Methyl Cation

The Mills–Nixon effect and chemical reactivity—methyl cation affinity of some cycloalkabenzenes

2001 ◽  
pp. 1091-1098 ◽  
Author(s):  
Mirjana Eckert-Maksić ◽  
Zoran Glasovac ◽  
Nana Novak Coumbassa ◽  
Zvonimir B. Maksić
Keyword(s):  
Chemical Reactivity ◽  
Cation Affinity ◽  
Methyl Cation

Correlation between Alkyl Cation Affinities and Proton Affinities—A Means to Rationalise Alkyl Group Substituent Effects

2000 ◽  
Vol 6 (2) ◽  
pp. 131-134 ◽  
Author(s):  
Einar Uggerud
Keyword(s):  
Linear Relationship ◽  
Alkyl Group ◽  
Substituent Effects ◽  
Alkyl Substituent ◽  
Thermochemical Data ◽  
Proton Affinities ◽  
Alkyl Groups ◽  
Substituent Constants ◽  
Straight Lines ◽  
Methyl Cation

Using literature thermochemical data it is demonstrated that the known linear relationship between proton affinities and methyl cation affinities can be extended to other alkyl groups (ethyl, i-propyl, t-butyl). It is suggested that the slopes of the straight lines can be used to define a new set of alkyl substituent constants.

Methyl cation affinity (MCA) values for phosphanes

2010 ◽  
Vol 23 (11) ◽  
pp. 1036-1042 ◽  
Author(s):  
Christoph Lindner ◽  
Boris Maryasin ◽  
Frank Richter ◽  
Hendrik Zipse
Keyword(s):  
Cation Affinity ◽  
Methyl Cation

Isotopic Characterization (2H, 13C, 37Cl, 81Br) of the Abiotic Sinks of Methyl Bromide and Methyl Chloride in Water and Implications for Future Studies.

2018 ◽  
Author(s):  
Axel Horst ◽  
Magali Bonifacie ◽  
Gérard Bardoux ◽  
Hans-Hermann Richnow
Keyword(s):  
Methyl Bromide ◽  
Isotope Fractionation ◽  
Methyl Chloride ◽  
Methyl Halides ◽  
Future Studies ◽  
Halide Exchange ◽  
Isotopic Characterization

In this study we investigated the isotope fractionation of the abiotic sink (hydrolysis, halide exchange) of methyl halides in water.<br>

Geometry dependence of the proton affinities in the electronic ground, excited triplet and ionized doublet states of H2CO and H2COH+

1982 ◽  
Vol 89 (3-4) ◽  
pp. 235-245 ◽  
Author(s):  
Otto P. Strausz ◽  
Ede Kapuy ◽  
Cornelia Kozmutza ◽  
Michael A. Robb ◽  
Imre G. Csizmadia
Keyword(s):  
Proton Affinities ◽  
Excited Triplet ◽  
Geometry Dependence ◽  
Electronic Ground
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