Large Phosphorus Hyperfine Coupling as a Sensitive Tool for Studying Molecular Dynamics: ESR and Molecular Mechanics Studies of Ring Interconversion in the cis-2,5-Diphosphoryl-2,5-dimethyl-pyrrolidinoxyl Radical-Reference-Cited by-同舟云学术

Large Phosphorus Hyperfine Coupling as a Sensitive Tool for Studying Molecular Dynamics: ESR and Molecular Mechanics Studies of Ring Interconversion in the cis-2,5-Diphosphoryl-2,5-dimethyl-pyrrolidinoxyl Radical

Published:2003-04-11 Issue:19 Volume:107 Page:3851-3857
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Rockenbauer Antal¹,Gaudel-Siri Anouk¹,Siri Didier¹,Berchadsky Yves¹,Le Moigne François¹,Olive Gilles¹,Tordo Paul¹

Affiliation:

1. Chemical Research Center, Institute of Chemistry H-1075 Budapest, Pusztaszeri 59, Hungary, Laboratoire de Chimie Théorique et Modélisation Moléculaire, UMR 6517, CNRS-Universités d'Aix-Marseille I et III, Case D42, 13397 Marseille, Cédex 20, France, and Laboratoire Structure et Réactivité des Espèces Paramagnétiques, UMR 6517, CNRS-Universités d'Aix-Marseille I et III, Case 521, 13397 Marseille, Cédex 20, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0213351

Reference45 articles.

1. Computational Studies of the Arabinofuranose Ring: Conformational Preferences of Fully Relaxed Methyl α-d-arabinofuranoside

2. Probing Furanose Ring Conformation by Gas-Phase Computational Methods: Energy Profile and Structural Parameters in Methyl β-d-Arabinofuranoside as a Function of Ring Conformation

3. A Computational Study of Methyl α-D-Arabinofuranoside: Effect of Ring Conformation on Structural Parameters and Energy Profile

4. Theoretical Studies of the Potential Energy Surfaces and Compositions of the d-Aldo- and d-Ketohexoses

5. 13C−1H and 13C−13C Spin Couplings in [2‘-13C]2‘-Deoxyribonucleosides: Correlations with Molecular Structure

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. In situ simultaneous electrochemical ESR study of radicals generated from 2,2-dinitroethene-1,1-diamine (FOX-7). Intramolecular chemical exchange resulting in an alternation line-width effect;Journal of Magnetic Resonance;2021-02

2. Structure and Spectromagnetic Properties of the Superoxide Radical Adduct of DMPO in Water: Elucidation by Theoretical Investigations;The Journal of Physical Chemistry B;2010-08-19

3. Nitroxide Radicals: Properties, Synthesis and Applications;Stable Radicals;2010-07-13

4. Combined ESR and Thermodynamic Studies of the Superoxide Adduct of 5-(Diethoxyphosphoryl)-5-Methyl-1-Pyrroline N-Oxide (DEPMPO): Hindered Rotation around the O−O Bond Evidenced by Two-Dimensional Simulation of Temperature-Dependent Spectra;The Journal of Physical Chemistry A;2007-05-23

5. Thermodynamic Analysis of the Chemical Exchange of β−Phosphorylated Cyclic Nitroxides by Using Two-dimensional (Temperature versus Magnetic Field) Simulation of ESR Spectra: The Impact of Labile Solvent−Solute Interactions on Molecular Dynamics;The Journal of Physical Chemistry A;2006-07-14