CALCULATION OF CHEMICAL SHIFTS. I. GENERAL FORMULATION AND THE Z DEPENDENCE,

Abstract

Explicit expressions for the paramagnetic contribution to the nuclear magnetic shielding are derived in the valence bond and the LCAO-MO framework including d as well as p orbitals on the atom in question. A survey of published experimental data reveals a periodic dependence of the range of chemical shifts on atomic number, which is explained in terms of the paramagnetic contribution to the chemical shift and its dependence on <1/r3> for the bonding electrons. (Author)

Document Details

Document Type
Technical Report
Publication Date
Sep 21, 1963
Accession Number
AD0423304

Entities

People

  • Cynthis Juan Jameson
  • Herbert S. Gutowsky

Organizations

  • University of Illinois Urbana–Champaign

Tags

DTIC Thesaurus Topics

  • Atomic Properties
  • Atoms
  • Chemical Shifts
  • Electrons
  • Experimental Data
  • Nuclear Properties
  • Physical Properties
  • Shielding

Fields of Study

  • Physics

Readers

  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.

Technology Areas

  • Microelectronics
  • Space