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Molecular orbital, increased valence, valence bond and non-pairing spatial orbital formulae for three-centre bonding

Richard D. Harcourt

Open publisher page 37 citations

Abstract

The simple valence-bond and molecular orbital formulae for three-centre bonding involving four electrons and three atoms Y, A, and B are Y 4-B - Y-A 'P, and Y---A---B Increased-valence formulae that have been developed recently are Y-A . B and Y . A-B If Y and B are the same type of atom, and bond-orbitals are used as wave functions for Y-A and A-B bonds, then the near-equivalence of the molecular orbital and increased-valence wave functions is demonstrated. Bond-orders (or numbers) for these and Linnett's5s6 non-pairing spatial orbital formula Y . A . B are calculated.

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What this paper is about

The simple valence-bond and molecular orbital formulae for three-centre bonding involving four electrons and three atoms Y, A, and B are Y 4-B - Y-A 'P, and Y---A---B Increased-valence formulae that have been developed recently are Y-A . B and Y . A-B If Y and B are the same type of atom, and bond-orbitals are used as wave functions for Y-A and A-B bonds, then the near-equivalence of the molecular orbital and increased-valence wave functions is demonstrated. Bond-orders (or numbers) for these and Linnett's5s6 non-pairing spatial orbital formula Y . A . B are calculated.

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Available abstract

The simple valence-bond and molecular orbital formulae for three-centre bonding involving four electrons and three atoms Y, A, and B are Y 4-B - Y-A 'P, and Y---A---B Increased-valence formulae that have been developed recently are Y-A . B and Y . A-B If Y and B are the same type of atom, and bond-orbitals are used as wave functions for Y-A and A-B bonds, then the near-equivalence of the molecular orbital and increased-valence wave functions is demonstrated. Bond-orders (or numbers) for these and Linnett's5s6 non-pairing spatial orbital formula Y . A . B are calculated.

Key concepts: Valence bond theory, Non-bonding orbital, Chemistry, Generalized valence bond, Modern valence bond theory, Orbital hybridisation, Molecular orbital, Pi bond

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