Interpretation of the solvent effect on the screening constant of Xe‐129

@article{Luhmer1989InterpretationOT,
  title={Interpretation of the solvent effect on the screening constant of Xe‐129},
  author={Michel Luhmer and Annick Dejaegere and Jacques Reisse},
  journal={Magnetic Resonance in Chemistry},
  year={1989},
  volume={27}
}
The chemical shift (δ) of a xenon monoatomic molecule is very sensitive to the environment. The major contribution to this shift arises from the van der Waals interactions between the solvent and the xenon molecules. Usually, this solvent effect is interpreted via a reaction field model. This approach leads to a search for a correlation between δ and a function of the square of the refractive index of the solvent [f(n2)]. This paper illustrates the use of a theoretical model developed in our… Expand
Study of NMR relaxation of xenon-131 in quadrupolar solvents
Abstract An experimental and theoretical study of the quadrupolar relaxation of xenon-131 by quadrupolar solvents has been performed. The electric-field-gradient (EFG) fluctuations at the xenonExpand
Reaction field model with free volume for the NMR chemical shift of129Xe dissolved in organic solvents
The temperature dependence of the NMR chemical shift of129Xe dissolved in liquid alkanes is examined in the context of the reaction field model. An essential feature of the theory is the inclusion ofExpand
Magnetic relaxation of xenon-131 dissolved in benzene. A study by molecular dynamics and Monte Carlo simulations
Molecular dynamics and Monte Carlo simulations were carried out for xenon atoms dissolved in liquid benzene in order to study the quadrupolar relaxation mechanism of the xenon‐131 nucleus. We confirmExpand
Probing the structure of liquids with 129Xe NMR spectroscopy: n-alkanes, cycloalkanes, and branched alkanes.
TLDR
The liquid organization of linear, branched, and cyclic alkanes was studied using atomic (129)Xe as a NMR probe to interpret previous results in the literature for ethane and propane at very different experimental conditions. Expand
An NMR study on the shielding of the 129Xe isotope of xenon dissolved in thermotropic liquid crystals
Abstract The variation of the nuclear shielding of the 129Xe isotope in natural xenon dissolved in various liquid crystals and liquid crystal mixtures has been studied over the temperature range fromExpand
Molecular dynamics averaging of Xe chemical shifts in liquids.
The Xe nuclear magnetic resonance chemical shift differences that afford the discrimination between various biological environments are of current interest for biosensor applications and medicalExpand
THEORIES OF CHEMICAL SHIFT ANISOTROPIES IN PROTEINS AND NUCLEIC ACIDS
Abstract This review examines our theoretical understanding of the origins of chemical shift anisotropy (CSA) in proteins and nucleic acids, based on theories for environmental and solvation effectsExpand
Probing polymer colloids by 129Xe NMR.
TLDR
The line width of free (129)Xe provides the residence time of xenon outside the particles and can be used to determine the rate constant characterizing the kinetics of penetration of Xenon in the particles. Expand
Gas to solution shifts of 129Xe and 13C of methane are linearly related
129Xe gas to solution shifts, which generally do not correlate well with solvent parameters, are shown to be linearly related to the 13C gas to solution shifts of methane in the same solvents. SinceExpand
Characterization of the effects of nonspecific xenon-protein interactions on (129)Xe chemical shifts in aqueous solution: further development of xenon as a biomolecular probe.
TLDR
The sensitivity of (129)Xe chemical shifts to weak nonspecific xenon-protein interactions has suggested the use of xenon to probe biomolecular structure and interactions, and NMR spectra of Xenon dissolved in amino acid, peptide, and protein solutions under both native and denaturing conditions are acquired. Expand
...
1
2
...

References

SHOWING 1-9 OF 9 REFERENCES
Solvent Effects in Nuclear Magnetic Resonance Spectra
Contributions to nuclear screening (chemical shifts) arising from molecular interactions with solvent molecules (excluding hydrogen bonding) are discussed in terms of appropriate theoretical models.Expand
Medium Effects in Nuclear Magnetic Resonance. IV. A Refined Theory for Nonpolar Gases
Following the general theory for medium NMR shifts in gases as outlined in Part I of this series, two improvements are proposed. For the calculation of the van der Waals interaction a repulsive termExpand
A new method for the estimation of interaction energies in Lennard-Jones pure liquids and solutions
A new theoretical model is proposed for the estimation of interaction energies in pure liquids as well as in dilute binary solutions, with particular emphasis on the London and Pauli contributions toExpand
Xenon NMR: chemical shifts of a general anesthetic in common solvents, proteins, and membranes.
TLDR
The use of 129Xe NMR as a probe of biological systems was investigated and there was evidence of a fast exchange of xenon between the aqueous and organic environments, but the exchange was slow in suspensions of dimyristoyl lecithin vesicles. Expand
Nuclear magnetic relaxation of xenon-131 in solution. The influence of solvent electric moment and dynamics on solute relaxation
Les donnees RMN de 131 Xe, dans divers solvants, sont etudiees a l'aide des theories courantes d'une relaxation quadripolaire, et a l'aide du modele electrostatique de Hertz qui explique le mieux, leExpand
CHEMICAL SHIFTS IN THE NUCLEAR MAGNETIC RESONANCE SPECTRA OF MOLECULES CONTAINING POLAR GROUPS
It is shown that the electric field at a particular nucleus arising from polar groups in other parts of a molecule can lead to chemical shifts proportional to the first power of the field strength....
Binding of Xenon to Sperm Whale Myoglobin
No. 3 porosity glass sinter, was distinct from the subsequent conversion into reducing sugars. This initial attack was most rapid at a markedly lowor pH and might perhaps be caused by a differentExpand