Experimental and Theoretical Investigations of 31P NMR Phenomena.

Abstract

The magnetic resonance properties of the phosphorus-31 nucleus, the only naturally occurring isotope of the element, have been studied since the beginnings of NMR spectroscopy. While a very large number of compounds have been examined, and the technique has gained wide acceptance as a tool for exploring structure in both organic and inorganic phsophorus compounds, the theoretical aspects have not achieved the degree of development that provides ready explanations for many of the chemical shift effects and other properties that have been observed and continue to be observed. The research reported here was prompted by numerous first-hand encounters with the consequences of this lack of interpretive capability in the field, and several experimental projects were designed to provide information on particular structural-spectral effects. Theoretical work was simultaneously commenced so as to provide a basis for understanding the interactions involved, both of bonding and non-bonding origin. This dual attack has indeed led to some significant observations. Results are summarized in this Report in two sections. The first is concerned with the experimental work, while the second section is concerned with the theoretical work. (Author)

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Document Details

Document Type
Technical Report
Publication Date
Oct 01, 1979
Accession Number
ADA076557

Entities

People

  • D. B. Chesnut
  • L. D. Quin

Organizations

  • Duke University

Tags

Communities of Interest

  • C4I

DTIC Thesaurus Topics

  • Alkanes
  • Chemical Shifts
  • Chemical Synthesis
  • Chemistry
  • Cyclic Compounds
  • Dihedral Angle
  • First Principles Calculations
  • Magnetic Resonance
  • Molecular Orbital Theory
  • Nuclear Magnetic Resonance
  • Organic Chemistry
  • Phosphine Oxides
  • Phosphorus Compounds
  • Plastic Explosives
  • Resonance
  • Shielding

Readers

  • Quantum Chemistry
  • Systems Analysis and Design
  • Theoretical Analysis.