MOLECULAR ORBITAL INCREASED VALENCE VALENCE BOND AND NON-PAIRING SPATIAL ORBITAL FORMULAE FOR 3-CENTRE BONDING

The simple valence-bond and molecular orbital formulae for three-centre bonding involving four electrons and three atoms Y, A, and B are Ÿ A⎯B ⟷ Y⎯A 'P, and Y---A---B Increased-valence formulae that have been developed recently are Y⎯A. Ḃ and Ẏ. 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 Ẏ. A. B are calculated. © 1969, CSIRO. All rights reserved.