Molecular Dynamics of Macrocycle-Metal Ion Complexes Involving Heteronuclear Binding Atoms

Abstract

Combination of ultrasonic absorption relaxation spectra with infrared absorption spectra yields a clearer picture of the mechanism of complexation of metal ions by macrocycles in nonaqueous solutions. The Eigen-Winkler multistep reaction mechanism has consistently provided a suitable fit of the ultrasonic absorption data for systems such as monovalent sodium cation reacting with 18- crown-6 in acetonitrile. A macrocycle such as Kryptofix 22 having two nitrogen atoms in the ring experiences an exo-exo yields exo-endo yields endo-endo change in conformation readily detected by ultrasonic techniques. Differences in complexation-decomplexation mechanisms deduced from ultrasonic and NMR data can be rationalized in terms of the limitations of the experimental techniques. Ultrasonic absorption, Nonaqueous solutions, Krptofix 22, Crown ethers.

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Document Details

Document Type
Technical Report
Publication Date
Jan 23, 1989
Accession Number
ADA203437

Entities

People

  • Edward M. Eyring
  • Licesio J. Rodrigez
  • Meizhen Xu
  • Sergio Petrucci

Organizations

  • University of Utah

Tags

Communities of Interest

  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Absorption
  • Absorption Spectra
  • Abstracts
  • Acetonitrile
  • Alcohols
  • Aqueous Solutions
  • Carbonate Esters
  • Chemical Synthesis
  • Chemistry
  • Crown Ethers
  • Dynamics
  • Ethers
  • Military Research
  • Nitriles
  • Organic Chemistry
  • Spectra
  • Universities

Fields of Study

  • Chemistry

Readers

  • Molecular Photonics/Laser Physics
  • Organic Chemistry
  • Structural Health Monitoring of Composite Structures.