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Why chemical reactions happen

Why chemical reactions happen (First Edition)

James Keeler and Peter Wothers
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date: 09 September 2024

6. Electrons in larger moleculeslocked

6. Electrons in larger moleculeslocked

  • James KeelerJames KeelerDepartment of Chemistry and Fellow of Selwyn College, Cambridge
  •  and Peter WothersPeter WothersDepartment of Chemistry and Fellow of St Catharine’s College, Cambridge

Abstract

This chapter discusses electrons in larger molecules. It notes how computer programs have been developed for calculating both the shapes and energies of molecular orbital through the process of specifying types and positions of atoms. The chapter mentions a process called energy minimization. Here, computers are used to determine the minimum energy arrangement required. The chapter also discusses the two–centre, two–electron bond, in addition to its analysis of hybrid atomic orbitals by referencing water, ammonia, and the inversion of ammonia. It then explores the usage of hybrid atomic orbitals to describe diatomics. The chapter ends with a discussion about reconciling the delocalised and hybrid atomic orbital approaches.

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