Theoretical study on the protonation of AZA-aromatics

Peter van de Weijer, Douwe van der Meer

Research output: Contribution to journalArticleAcademic

9 Citations (Scopus)
49 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 languageUndefined
Pages (from-to)223-229
JournalTheoretica chimica acta
Volume38
Issue number3
DOIs
Publication statusPublished - 1975

Keywords

  • IR-85475

Cite this

van de Weijer, Peter ; van der Meer, Douwe. / Theoretical study on the protonation of AZA-aromatics. In: Theoretica chimica acta. 1975 ; Vol. 38, No. 3. pp. 223-229.
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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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journal = "Theoretical chemistry accounts",
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van de Weijer, P & van der Meer, D 1975, 'Theoretical study on the protonation of AZA-aromatics' Theoretica chimica acta, vol. 38, no. 3, pp. 223-229. https://doi.org/10.1007/BF01125900

Theoretical study on the protonation of AZA-aromatics. / van de Weijer, Peter; van der Meer, Douwe.

In: Theoretica chimica acta, Vol. 38, No. 3, 1975, p. 223-229.

Research output: Contribution to journalArticleAcademic

TY - JOUR

T1 - Theoretical study on the protonation of AZA-aromatics

AU - van de Weijer, Peter

AU - van der Meer, Douwe

PY - 1975

Y1 - 1975

N2 - 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.

AB - 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.

KW - IR-85475

U2 - 10.1007/BF01125900

DO - 10.1007/BF01125900

M3 - Article

VL - 38

SP - 223

EP - 229

JO - Theoretical chemistry accounts

JF - Theoretical chemistry accounts

SN - 1432-881X

IS - 3

ER -