Influence of Positive Charge on the NMR Parameters of Mono- and Diprotonated Forms of 4-Dimethylaminopyridine

Alexander M. Genaev, George E. Salnikov, Konstantin Yu Koltunov

Research output: Contribution to journalArticlepeer-review

Abstract

By the example of 4-dimethylaminopyridine and some of its derivatives taken as model nitrogen heterocycles with several basic centers, the correlation of the parameters of the NMR spectra with the direction (regioselectivity) and multiplicity of protonation of these compounds in CF3COOH-CD2Cl2, TfOH-CD2Cl2, and FSO3H-SbF(5)acid systems was studied. The established dependence of the spectral characteristics on the value of the introduced positive charge will be useful in studying the reactivity of similar heterocyclic systems in the presence of acidic agents.

Original languageEnglish
Pages (from-to)892-897
Number of pages6
JournalChemistry of Heterocyclic Compounds
Volume56
Issue number7
DOIs
Publication statusPublished - 1 Jul 2020

Keywords

  • DMAP
  • N-protonation
  • NMR
  • quantum-chemical calculations
  • simulation of NMR spectra
  • super acids
  • CHEMICAL-SHIFTS
  • SPECTRA
  • COUPLING-CONSTANTS
  • CONVENTIONS

Fingerprint Dive into the research topics of 'Influence of Positive Charge on the NMR Parameters of Mono- and Diprotonated Forms of 4-Dimethylaminopyridine'. Together they form a unique fingerprint.

Cite this