ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Contact ion pairs, essential intermediates of both chemical and biochemical reactions in solution, can be satisfactorily approximated by MNDO calculations as exemplified by the lithium and potassium salts of 2,5-trimethylsilyl-p-benzosemiquinone radical anion and by sodium tetraphenylallyl anion diethyl ether. Topics discussed are the structural changes of p-benzoquinone derivatives on single-electron reduction, the dynamics of the countercations in semiquinone radical contact ion pairs measured by temperature-dependent ESR spectra, as well as structural details of the sodium tetraphenyl-allylanion complex isolated such as its intramolecular Na dibenzene sandwich or its diethylether solvation. © 1992 John Wiley & Sons, Inc.
Additional Material:
12 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560440406
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