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- Walsh_diagram abstract "Walsh diagrams, often called angular coordinate diagrams or correlation diagrams, are representations of calculated orbital energies of a molecule versus a distortion coordinate, used for making quick predictions about the geometries of small molecules. By plotting the change in molecular orbital levels of a molecule as a function of geometrical change, Walsh diagrams explain why molecules are more stable in certain spatial configurations (i.e. why water adopts a bent conformation).A major application of Walsh diagrams is to explain the regularity in structure observed for related molecules having identical numbers of valence electrons (i.e. why H2O and H2S look similar), and to account for how molecules alter their geometries as their number of electrons or spin state changes. Additionally, Walsh diagrams can be used to predict distortions of molecular geometry from knowledge of how the LUMO (Lowest Unoccupied Molecular Orbital) affects the HOMO (Highest Occupied Molecular Orbital) when the molecule experiences geometrical perturbation.Walsh's rule for predicting shapes of molecules states that a molecule will adopt a structure that best provides the most stability for its HOMO. If a particular structural change does not perturb the HOMO, the closest occupied molecular orbital governs the preference for geometrical orientation.".
- Walsh_diagram thumbnail Walshdiagramintro.gif?width=300.
- Walsh_diagram wikiPageExternalLink background.
- Walsh_diagram wikiPageExternalLink instructions.
- Walsh_diagram wikiPageExternalLink Walsh.htm.
- Walsh_diagram wikiPageID "25420967".
- Walsh_diagram wikiPageRevisionID "603537566".
- Walsh_diagram hasPhotoCollection Walsh_diagram.
- Walsh_diagram subject Category:Chemical_bonding.
- Walsh_diagram subject Category:Physical_organic_chemistry.
- Walsh_diagram comment "Walsh diagrams, often called angular coordinate diagrams or correlation diagrams, are representations of calculated orbital energies of a molecule versus a distortion coordinate, used for making quick predictions about the geometries of small molecules. By plotting the change in molecular orbital levels of a molecule as a function of geometrical change, Walsh diagrams explain why molecules are more stable in certain spatial configurations (i.e.".
- Walsh_diagram label "Walsh diagram".
- Walsh_diagram label "Walsh-Diagramm".
- Walsh_diagram sameAs Walsh-Diagramm.
- Walsh_diagram sameAs m.09k4gyb.
- Walsh_diagram sameAs Q775007.
- Walsh_diagram sameAs Q775007.
- Walsh_diagram wasDerivedFrom Walsh_diagram?oldid=603537566.
- Walsh_diagram depiction Walshdiagramintro.gif.
- Walsh_diagram isPrimaryTopicOf Walsh_diagram.