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Abstract <p>Copper(II) β-diketonates are popular MOCVD precursors for production of copper and copper-containing coatings. For further development and targeted design of new precursors of this type it would be very useful to have a tool for fast indirect estimation of the energy of Cu–O bonds. In this work, we have searched for correlations between the energy of Cu–O bonds in Cu(II) β-diketonates and their topological characteristics. Several equations have been proposed.</p>

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Estimating Strength of Cu–O Bonds in Cu(II) β-Diketonates from Electron Density Topology

  • 期刊论文

  • 发表日期：

    2025年5月1日

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  • R. E. Afaunov,
  • I. V. Mirzaeva,
  • S. G. Kozlova

摘要

Abstract

Copper(II) β-diketonates are popular MOCVD precursors for production of copper and copper-containing coatings. For further development and targeted design of new precursors of this type it would be very useful to have a tool for fast indirect estimation of the energy of Cu–O bonds. In this work, we have searched for correlations between the energy of Cu–O bonds in Cu(II) β-diketonates and their topological characteristics. Several equations have been proposed.