ISSN:
0018-019X
Keywords:
Chemistry
;
Organic Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The reactions indicated in the title have been studied in terms of direct processes and complex formation. Quantum-chemical methods have been applied to the passage of an acid (H+, CH3+, X+) from CH3X+· to CH3X, and the abstraction of a radical (H· CH3·, X·) from CH3X by CH3X+·. It has been shown that a complex represented by a dimer of a methyl-halide radical cation, (CH3X)2+·, with a two-center three-electron bond X—X, has fairly high stability. These investigations were based on non-empirical quantum-chemical calculations, the results being systematically compared with experimental determinations. Some calculations included all electrons (X=F, Cl, Br), others were based on relativistic pseudopotentials (X=F through At). The two sets of calculations agree qualitatively with each other and with experimental observations.
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/hlca.19970800710
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