On closed-shell interactions, polar covalences, d shell holes, and direct images of orbitals: The case of cuprite

J. M. Zuo, M. O'Keeffe, M. Kim, John Spence

Research output: Contribution to journalArticle

21 Scopus citations

Abstract

Detailed experimental evidence is presented in supporting the previous report of the authors on the direct observation of d-holes and Cu-Cu bonding in Cu2O (see figure). It is shown that the accuracy of X-ray measurements of charge density is limited by the extinction effect, and that theoretical calculations of charge transfer are limited by the approximations made and the models used.

Original languageEnglish (US)
Pages (from-to)3791-3794
Number of pages4
JournalAngewandte Chemie - International Edition
Volume39
Issue number21
DOIs
StatePublished - Nov 3 2000

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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