Comparison of Equilibruim Internuclear Distances for Diatomic Molecules and Their Ions.

Abstract

The equilbrium internuclear distances (EIDs) of several diatomic molecules (C2, CN, N2, NO, O2, F2) and their ions are investigated. The EID dependence on electronic structure and on nuclear charges are examined separately and are shown to have systematic behaviors of the EIDs. The atomic radius overlap, which is defined as a sum of the two atomic radii minus the EID, plays an important role in understanding the systematic behaviors of the EIDs. The systematic behavior found in this work can be used to predict unknown EIDs for diatomic molecules and their ions with equal or nearly equal nuclear charges. Based on these systematic behaviors, we predict the EID of the CN(-) ground state to be 1.171 A, the EID of the C2(-) ground state to be 1.24 A, and the 6sigma shape resonance peak of NO(-) to be 15.2 eV.

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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 1986
Accession Number
ADA176036

Entities

People

  • C. R. Phillips
  • David E. Ramaker
  • H. Sambe

Organizations

  • George Washington University

Tags

Communities of Interest

  • C4I

DTIC Thesaurus Topics

  • Atomic Properties
  • Atomic Structure
  • Diatomic Molecules
  • Ground State
  • Molecules
  • Physical Properties
  • Plastic Explosives
  • Resonance

Fields of Study

  • Physics

Readers

  • Materials Science and Engineering.
  • Military History

Technology Areas

  • Microelectronics