Theoretical study on the protonation of AZA-aromatics

Peter van de Weijer; Douwe van der Meer

doi:10.1007/BF01125900

Theoretical study on the protonation of AZA-aromatics

Peter van de Weijer
, Douwe van der Meer

Faculty of Science and Technology

Research output: Contribution to journal › Article › Academic

10 Citations (Scopus)

217 Downloads (Pure)

Abstract

The protonation of azanaphthalenes and azabenzenes has been studied theoretically using CNDO/2 wavefunctions and perturbation theory in order to examine the correlation between pKa values and quantum-mechanical quantities.

Original language	English
Pages (from-to)	223-229
Journal	Theoretica chimica acta
Volume	38
Issue number	3
DOIs	https://doi.org/10.1007/BF01125900
Publication status	Published - 1975

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title = "Theoretical study on the protonation of AZA-aromatics",

abstract = "The protonation of azanaphthalenes and azabenzenes has been studied theoretically using CNDO/2 wavefunctions and perturbation theory in order to examine the correlation between pKa values and quantum-mechanical quantities.",

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AU - van der Meer, Douwe

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SP - 223

EP - 229

JO - Theoretica chimica acta

JF - Theoretica chimica acta

IS - 3

ER -

Theoretical study on the protonation of AZA-aromatics

Abstract

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