Understanding Heterolytic Bond Cleavage

Abstract

When considering the fragmentation of a single bond, the attractive singlet and repulsive triplet potential energy curves of the prototype H2 - 2 H dissociation often come to mind. For species in which homolytic bond cleavage is energetically favored, such comparisons are reasonable. For other species where heterolytic cleavage gives lower-energy products, the H2 analogy is inappropriate. This paper offers a qualitative theoretical treatment of the singlet and triplet potential energy curves that arise when a single bond formed by an electron pair is cleaved either homolytically or heterolytically. This analysis is shown to provide insight into several problems involving transition metal systems: transition metal carbonyls, metal ion-ligand complexes, and transition metal dimers.

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Document Details

Document Type
Technical Report
Publication Date
May 31, 1992
Accession Number
ADA252336

Entities

People

  • Jack Simons
  • Peter Armentrout

Organizations

  • University of Utah

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Carbonyl Complexes
  • Chemistry
  • Dissociation
  • Electronic States
  • Electrons
  • Elements
  • Energy
  • Ground State
  • High Energy
  • Ionization
  • Metals
  • Military Research
  • Molecular Orbital Theory
  • Potential Energy
  • Quantum Chemistry
  • Transition Metals
  • Two Dimensional

Readers

  • Molecular Photonics/Laser Physics
  • Organic Chemistry
  • Systems Analysis and Design

Technology Areas

  • Microelectronics