List of works - Ilmar Koppel

17O NMR studies of ortho‐substituent effects in substituted phenyl tosylates ⬇️

scientific article published on August 31, 2012

A comprehensive self-consistent spectrophotometric acidity scale of neutral Brønsted acids in acetonitrile

scientific article

A new class of organosuperbases, N-alkyl- and N-aryl-1,3-dialkyl-4,5-dimethylimidazol-2-ylidene amines: synthesis, structure, pK(BH+) measurements, and properties

A unified view to Brønsted acidity scales: do we need solvated protons?

scientific article

Acid-base equilibria in nonpolar media. 2.(1) Self-consistent basicity scale in THF solution ranging from 2-methoxypyridine to EtP(1)(pyrr) phosphazene

scientific article published in March 2002

Acid-base equilibria in nonpolar media. 3. Expanding the spectrophotometric acidity scale in heptane

scientific article published in October 2003

Acid-base equilibria in nonpolar media. 4. Extension of the self-consistent basicity scale in THF medium. Gas-phase basicities of phosphazenes

scientific article published in December 2003

Acidities of strong neutral Brønsted acids in different media

Acidity of anilines: calculations vs experiment

scientific article published on 26 August 2011

Acidity of di- and triprotected hydrazine derivatives in dimethyl sulfoxide and aspects of their alkylation

scientific article published in July 2005

Calculations of pKa of superacids in 1,2-dichloroethane

scientific article published on 25 May 2011

Can O−H Acid be More Acidic Than Its S−H Analog? A G2 Study of Fluoromethanols and Fluoromethanethiols

Critical Test of Some Computational Chemistry Methods for Prediction of Gas-Phase Acidities and Basicities

scientific article published on 9 August 2013

Equilibrium Acidities of Superacids

scientific article (publication date: 21 January 2011)

Experimental Basicities of Phosphazene, Guanidinophosphazene, and Proton Sponge Superbases in the Gas Phase and Solution

scientific article

Extension of the self-consistent spectrophotometric basicity scale in acetonitrile to a full span of 28 pKa units: unification of different basicity scales

scientific article

Feasibility of the spontaneous gas-phase proton transfer equilibria between neutral Brønsted acids and Brønsted bases

Gas-Phase Brønsted Superacidity of Some Derivatives of Monocarba-closo-Borates: a Computational Study

Gas-phase basicities around and below water revisited

scientific article published on October 2010

Generalized principle of designing neutral superstrong Brønsted acids

scientific article

Guanidinophosphazenes: design, synthesis, and basicity in THF and in the gas phase

scientific article

Hydrogen-bonding interactions of (CF3)3CH and (CF3)3C- in the gas phase. An experimental (FT-ICR) and computational study.

scientific article

IEF-PCM calculations of absolute pKa for substituted phenols in dimethyl sulfoxide and acetonitrile solutions.

scientific article published in May 2009

Pentakis(trifluoromethyl)phenyl, a sterically crowded and electron-withdrawing group: synthesis and acidity of pentakis(trifluoromethyl)benzene, -toluene, -phenol, and -aniline

scientific article

Polytrifluoromethylation versus polyfluorination of the isomers of Kekulé benzene and phenol: a theoretical study

scientific article published on October 2010

Protonation of cubane in the gas phase: a high-level Ab initio and DFT study

scientific article

Relativistic effects on acidities and basicities of Brønsted acids and bases containing gold

scientific article published in November 2013

Solute‐solvent and solvent‐solvent interactions in binary solvent mixtures. 2. Effect of temperature on the ET(30) polarity parameter of dipolar hydrogen bond acceptor‐hydrogen bond donor mixtures

Solution and gas-phase acidities of all-trans (all-E) retinoic acid: an experimental and computational study

scientific article published on 17 June 2015

Stereoelectronic, strain, and medium effects on the protonation of cubylamine, a Janus-like base

scientific article published in May 2003

List of works by Ilmar Koppel

17O NMR studies of ortho‐substituent effects in substituted phenyl tosylates ⬇️

A comprehensive self-consistent spectrophotometric acidity scale of neutral Brønsted acids in acetonitrile

A new class of organosuperbases, N-alkyl- and N-aryl-1,3-dialkyl-4,5-dimethylimidazol-2-ylidene amines: synthesis, structure, pK(BH+) measurements, and properties

A unified view to Brønsted acidity scales: do we need solvated protons?

Acid-base equilibria in nonpolar media. 2.(1) Self-consistent basicity scale in THF solution ranging from 2-methoxypyridine to EtP(1)(pyrr) phosphazene

Acid-base equilibria in nonpolar media. 3. Expanding the spectrophotometric acidity scale in heptane

Acid-base equilibria in nonpolar media. 4. Extension of the self-consistent basicity scale in THF medium. Gas-phase basicities of phosphazenes

Acidities of strong neutral Brønsted acids in different media

Acidity of anilines: calculations vs experiment

Acidity of di- and triprotected hydrazine derivatives in dimethyl sulfoxide and aspects of their alkylation

Calculations of pKa of superacids in 1,2-dichloroethane

Can O−H Acid be More Acidic Than Its S−H Analog? A G2 Study of Fluoromethanols and Fluoromethanethiols

Critical Test of Some Computational Chemistry Methods for Prediction of Gas-Phase Acidities and Basicities

Equilibrium Acidities of Superacids

Experimental Basicities of Phosphazene, Guanidinophosphazene, and Proton Sponge Superbases in the Gas Phase and Solution

Extension of the self-consistent spectrophotometric basicity scale in acetonitrile to a full span of 28 pKa units: unification of different basicity scales

Feasibility of the spontaneous gas-phase proton transfer equilibria between neutral Brønsted acids and Brønsted bases

Gas-Phase Brønsted Superacidity of Some Derivatives of Monocarba-closo-Borates: a Computational Study

Gas-phase basicities around and below water revisited

Generalized principle of designing neutral superstrong Brønsted acids

Guanidinophosphazenes: design, synthesis, and basicity in THF and in the gas phase

Hydrogen-bonding interactions of (CF3)3CH and (CF3)3C- in the gas phase. An experimental (FT-ICR) and computational study.

IEF-PCM calculations of absolute pKa for substituted phenols in dimethyl sulfoxide and acetonitrile solutions.

Pentakis(trifluoromethyl)phenyl, a sterically crowded and electron-withdrawing group: synthesis and acidity of pentakis(trifluoromethyl)benzene, -toluene, -phenol, and -aniline

Polytrifluoromethylation versus polyfluorination of the isomers of Kekulé benzene and phenol: a theoretical study

Protonation of cubane in the gas phase: a high-level Ab initio and DFT study

Relativistic effects on acidities and basicities of Brønsted acids and bases containing gold

Solute‐solvent and solvent‐solvent interactions in binary solvent mixtures. 2. Effect of temperature on the ET(30) polarity parameter of dipolar hydrogen bond acceptor‐hydrogen bond donor mixtures

Solution and gas-phase acidities of all-trans (all-E) retinoic acid: an experimental and computational study

Stereoelectronic, strain, and medium effects on the protonation of cubylamine, a Janus-like base

Superacidity of closo-Dodecaborate-Based Brønsted Acids: a DFT Study

Theoretical Calculation of Intrinsic Acidity and Basicity of FOH

Theoretical Study of Dimethyl Sulfoxide−Anion Clusters