Application of experimental (FT-ICR) and theoretical (AM1) methods to the study of proton-transfer reactions for tautomerizing amidines in the gas phase (original) (raw)

Mass spectrometry as a valuable tool for the study of tautomerism of amides and thioamides

Patricia Allegretti

Journal of Molecular Structure: THEOCHEM, 2002

View PDFchevron_right

ChemInform Abstract: Experimental and Theoretical Studies on the Tautomerism in 2-Aminopyridines and 2(1H)-Pyridinones: Synthesis of 2-Amino-4-aryl-3-cyano-6-(3,4-dimethoxyphenyl)pyridines and 4-Aryl-3-cyano-6-(3,4-dimethoxyphenyl)-2(1H)-pyridinones

Hossein Eshghi

ChemInform, 2011

View PDFchevron_right

A theoretical analysis of the gas-phase protonation of hydroxylamine, methyl-derivatives and aliphatic amino acids

Renato Contreras

Chemical Physics Letters, 1998

View PDFchevron_right

228 Theoretical and Experimental Studies on and Intramolecular Proton Transfer of Two Tautomers (E)-2-{[2-

Mustafa Odabasoglu

View PDFchevron_right

Gas-phase tautomerism in 1-phenylazonaphthalene-4-ol: verification of the responses of individual tautomers

Vanya Kurteva

Rapid Communications in Mass Spectrometry, 2009

View PDFchevron_right

Intramolecular proton transfer in monohydrated tautomers of cytosine: An ab initio post-Hartree-Fock study

Jerzy Leszczynski, Leonid Gorb

International Journal of Quantum Chemistry, 1998

View PDFchevron_right

Tautomeric equilibrium of amides and related compounds: theoretical and spectral evidences

Patricia Allegretti

2000

View PDFchevron_right

Proton transfer in the benzimidazolone and benzimidazolthione tautomerism process catalyzed by polar protic solvents

Meziane Brahimi

Progress in Reaction Kinetics and Mechanism, 2019

View PDFchevron_right

Proton and Heavy Atom Motions during the Stepwise Proton Tautomerism of Various Oxalamidines. A Semiempirical PM3-MNDO Study

Hans-heinrich Limbach

View PDFchevron_right

Quantum/Classical Investigation of Amide Protonation in Aqueous Solution

Jürgen Brickmann

The Journal of Physical Chemistry A, 2002

View PDFchevron_right

Theoretical Study of Direct and Solvent–Assisted Proton Transfer and Tautomerism in the Ground State of 8–Hydroxyadenine

Nejm-Eddine Jaidane

… Electronic Journal of …, 2006

View PDFchevron_right

Dynamic NMR Study of the Tautomerism of Bicyclic Oxalamidines: Kinetic HH/HD/DD Isotope and Solvent Effects

Hans-heinrich Limbach

Journal of the American Chemical Society, 1994

View PDFchevron_right

Determination of thermodynamic parameters of tautomerization in gas phase by mass spectrometry and DFT calculations: Keto-enol versus nitrile-ketenimine equilibria

Patricia Allegretti

Spectrochimica Acta Part a Molecular and Biomolecular Spectroscopy, 2011

View PDFchevron_right

Gas-Phase Aromatic Amination by Protonated Phenylazide. A Mass Spectrometric and Radiolytic Study

Andreina Ricci

ract, 1990

View PDFchevron_right

Spectrometric Study of the Nitrile-Ketenimine Tautomerism

Hebe Saraví Cisneros

International Journal of Spectroscopy, 2009

View PDFchevron_right

Solvent and Substitution Influence on the Character of Tautomers Resulting from Proton Transfer Reaction in Some Phenol Derivatives

Jerzy Janski

Structural Chemistry, 2004

View PDFchevron_right

Experimental and Computational Studies on Aminoguanidine Free Base, Monocation and Dication, Part II: Acid-Base Properties, Gas Phase Protonation Energies and Total Energies of Two Tautomers of the Free Base

Ilpo Mutikainen

Zeitschrift für Naturforschung B, 1997

View PDFchevron_right

DFT and MP2 Calculations on Tautomers and Water-Assisted Proton Transfer on 1,2,5-Oxadiazol-4,3-diamine

Alireza salimi beni

Russian Journal of Physical Chemistry A, 2018

View PDFchevron_right

MNDO, AM1, and PM3 study of the protonation tautomerization and valence tautomerization equilibria of some pyrrole macrocycles

murat duran

Journal of Molecular Structure-theochem, 2002

View PDFchevron_right

Ab Initio Study of 2,4-Substituted Azolidines. II. Amino−Imino Tautomerism of 2-Aminothiazolidine-4-one and 4-Aminothiazolidine-2-one in Water Solution

Venelin Enchev

Journal of Physical Chemistry A, 2005

View PDFchevron_right

Multinuclear magnetic resonance and theoretical calculations in the study of structure and tautomerism of some 2-amino-N′-(aryl)-benzamidines

Wojciech Szczepankiewicz

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2003

View PDFchevron_right

GIAO/DFT calculated chemical shifts of tautomeric species. 2‐Phenacylpyridines and (Z)‐2‐(2‐hydroxy‐2‐phenylvinyl) pyridines

Borys Osmialowski

Magnetic Resonance in …, 2001

View PDFchevron_right

Bifunctionally catalyzed 1,3-proton transfer of a propene by a sec-amidine studied by deuterium isotope effects. A stepwise two-proton transfer mechanism

Stefan Löfås

Journal of Physical Organic Chemistry, 1989

View PDFchevron_right

The Thermodynamic and Kinetic Properties of 2-Hydroxypyridine/2-Pyridone Tautomerization: A Theoretical and Computational Revisit

Rifaat Hilal

International Journal of Molecular Sciences, 2016

View PDFchevron_right

EFFECT OF RING IN IMINES AND ENAMINES TAUTOMERISM IN GAS PHASE AND SOLUTION: A COMPUTATIONAL STUDY

Mohsen Hajibeygi

2013

View PDFchevron_right

Tautomerism in bis(oxazolines): an experimental and theoretical study of proton transfer in 1,1-bis(4,4-dimethyl-1,3-oxazolin-2-yl)-ethane

Valerio Bertolasi

Tetrahedron Letters, 2011

View PDFchevron_right

Ab initio study of intramolecular proton transfer reactions in cytosine

Mario Bossa

Chemical Physics Letters, 1997

View PDFchevron_right

Substituent and temperature controlled tautomerism of 2-phenacyl- pyridine: the hydrogen bond as a configurational lock of (Z)-2- (2-hydroxy-2-phenylvinyl)pyridine

Tadeusz Krygowski, Borys Osmialowski, Maija Nissinen

View PDFchevron_right

Proton transfer reactions between ortho -methyl substituted derivatives of 4-nitrophenylphenylcyanomethane and nitrogen bases in acetonitrile solvent

przemyslaw pruszynski

Canadian Journal of Chemistry, 1988

View PDFchevron_right

Theoretical study of the proton affinities of 2-, 3-, and 4-monosubstituted pyridines in the gas phase by means of MINDO/3, MNDO, and AM1

Gershom Martin

Journal of Computational Chemistry, 1989

View PDFchevron_right

Theoretical Study of the Double Proton Transfer in Hydrogen-Bonded Complexes in the Gas Phase and in Solution: Prototropic Tautomerization of Formamide

Pablo Jaque

The Journal of Physical Chemistry A, 1999

View PDFchevron_right

Pages 416-430Assisted Proton Transfer and Tautomerism in the Ground State of 8-Hydroxyadenine

Zohra Lakhdar

2006

View PDFchevron_right

Gas-phase aromatic amination by protonated substituted phenylazides

Andreina Ricci

International Journal of Mass Spectrometry and Ion Processes, 1992

View PDFchevron_right

3-Hydroxy-4-methyl-4-pentenonitrile and 4-methyl-3-oxo-4-pentenonitrile: Study of the tautomerics equilibria in gas phase and in solution

Patricia Allegretti

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2010

View PDFchevron_right

Spectroscopic and theoretical studies of the protonation of N-(5-nitrosalicylidene)-ethylamine

Krystian Pyta

Journal of Molecular Structure, 2010

View PDFchevron_right