Comparison of the molecular structures of five benzene derivatives as determined independently by gas-phase electron diffraction in two different laboratories: A perspective

Anna Rita Campanelli, Aldo Domenicano, István Hargittai

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The merits and limitations of gas-phase electron diffraction as a technique for determining accurately the structures of small organic molecules are demonstrated by comparing the molecular structures of five benzene derivatives studied in two different laboratories. The existence of many possible representations of the structure of a molecule (ra, rg, rα, rα0, re,...), implying differences in the physical meaning of geometrical parameters, is discussed in some detail as it may cause difficulties in a comparison. Also illustrated are different ways of estimating and expressing uncertainties in the geometrical parameters from a gas-phase electron diffraction study.

Original languageEnglish
Pages (from-to)803-808
Number of pages6
JournalStructural Chemistry
Volume21
Issue number4
DOIs
Publication statusPublished - Jul 14 2010

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Keywords

  • 1,3,5-Trichlorobenzene
  • 1,3,5-Trifluorobenzene
  • 1,4-Dichlorobenzene
  • 1,4-Difluorobenzene
  • Gas-phase electron diffraction
  • Silylbenzene

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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