Correlation of the Chemical Reactivity of Some Tetrazine Derivatives with Their Reactivity toward Ortho-positronium Atoms and Their LUMO Energies

Béla Lévay, András Kotschy, Zoltán Novák

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Chemical reaction rate constants of the nucleophilic ortho-positronium (o-Ps) atom with a series of tetrazine derivatives were determined in dimethylformamide (DMF) solutions by positron annihilation lifetime spectroscopy. The observed rate constants are in the range that corresponds to that of the diffusion-controlled reactions. It was shown that this pronounced reactivity of tetrazines toward o-Ps stems from the electron-deficient tetrazine core. The introduction of electron-donating substituents onto the tetrazine ring, as expected, decreases the reactivity of the molecule toward o-Ps. The measured reaction rate constants of o-Ps resulted in a good linear correlation with the calculated LUMO energies of the tetrazines. The reactivity of tetrazines toward o-Ps correlated well also with their reactivity toward classical nucleophiles.

Original languageEnglish
Pages (from-to)1753-1756
Number of pages4
JournalJournal of Physical Chemistry A
Volume108
Issue number10
DOIs
Publication statusPublished - Mar 11 2004

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Chemical reactivity
positronium
Rate constants
reactivity
Derivatives
Atoms
Reaction rates
atoms
Dimethylformamide
Nucleophiles
reaction kinetics
Positron annihilation
Electrons
energy
Chemical reactions
nucleophiles
positron annihilation
stems
Spectroscopy
chemical reactions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Correlation of the Chemical Reactivity of Some Tetrazine Derivatives with Their Reactivity toward Ortho-positronium Atoms and Their LUMO Energies. / Lévay, Béla; Kotschy, András; Novák, Zoltán.

In: Journal of Physical Chemistry A, Vol. 108, No. 10, 11.03.2004, p. 1753-1756.

Research output: Contribution to journalArticle

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