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Algorithm for the prediction of molecular Geometry:

Algorithm for the prediction of molecular Geometry:. Electron pair Geometry. Molecular Geometry. Lewis Structure. °°. H. H. N. NH 3. H. Tetrahedral. Trigonal Pyramid.

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Algorithm for the prediction of molecular Geometry:

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  1. Algorithm for the prediction of molecular Geometry: Electron pair Geometry Molecular Geometry Lewis Structure °° H H N NH3 H Tetrahedral Trigonal Pyramid To describe the shape of a molecule, one always indicates the shape of the molecule, instead of the electron pair geometry.

  2. Electron pair geometry on the basis of the electron pair number Number of Geometry of Bonds Bond e- pairs e- pairsenlace Geometry Angle 2 Linear 180º 3 Trigonal 120º planar 4 Tetrahedral 109.5º 5 trigonal 120º Bipyramidal 90º 6 Octahedral 90º 180º

  3. The molecular geometry is described in terms of the angular array of the bonding pairs. • For multiple bonded molecules, the VSEPR model considers these as one single bonding pair to predict the geometry. • The following table sums up some of the geometries observed for ABn type molecules.

  4. Electron Pairs Geometry and Molecular Shapes Number of Arrangement Non bonding e- pairs e- pairs of bonding e- pairs e- pairs Geometry example 2 0 2 pairs Lineal linear 3 0 3 pairs Trigonal planar Trigonal planar 2 1 Angular 4 pairs 4 0 Tetrahedral Tetrahedral 3 1 Trigonal pyramidal 2 2 Angular

  5. Example: Predict the molecular shape of silicium tetrachloride, SiCl4 1.-Determinate the Lewis structuree of the compound or ion and deduce the valence electron pairs of the central atom, whether they are bound or not. A double bond is considered equal to a single one Cl Cl Si Cl Cl 2.-Distribute the electron pairs in space so that the repulsions are minimized. (Lookup the electronic pairs geometry table) . When the non bonding electron pairs can be situated in more than one non equivalent position, choose the one that minimizes repulsions. For the SiCl4 molecule, a tetrahedral structure is predicted, with bond angles of aproximately 109.5° The molecular geometry is determined by the position of the peripheral atoms bound to the central one.

  6. Example: Predict the molecular shape of Phosphorous trichloride, PCl3 1.-Write up the Lewis stucture of the molecule: The central atom carries four pairs of valence electrons (one Lone Pair and three bound ones), the ideal distribution in this case is a tetrahedron: (See table: Electron pairs Geometry) . °° In this specific case, trhe tetrahedron is distorted due to the ps-pe effect which does that the Cl-P-Cl angle be smaller than 109.5° and that the geometry is the one of a trigonal pyramid.

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