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Structures, stabilities, and energies of isomerization of α-cyano and α-isocyano carbanions (1982)

Moffat, J. B.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 22 (1982), S. 299-306

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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: Ab initio STO-3G calculations show that α-cyano- and α-isocyano-substitution on carbanions produce a significant approximately equal stabilization of these charged species. Evidence is presented which suggests that the mechanism of such stabilization is qualitatively different for the cyano and isocyano substituents. The former appears to act through an electron delocalization process while the latter may operate by an inductive effect.

Additional Material: 5 Tab.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560220209

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