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Octahedral Crystal Field Splitting

Dhruv Joshi Department of Chemistry IIT Bombay. Octahedral Crystal Field Splitting. Why do d-orbitals split in these peculiar ways in presence of Octahedral ligand fields? This interactive instruction animation will explain things for the beginner student of Inorganic Chemistry.

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Octahedral Crystal Field Splitting

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  1. Dhruv Joshi Department of Chemistry IIT Bombay Octahedral Crystal Field Splitting Why do d-orbitals split in these peculiar ways in presence of Octahedral ligand fields? This interactive instruction animation will explain things for the beginner student of Inorganic Chemistry

  2. INSTRUCTIONS TO ANIMATOR In this IDD, first the master layout and the definitions of components will be shown. After that the slides will be shown in the order which the user will be seeing them. Slides will initially contain some theory and then will have a simple interactive animation. Please follow the order shown, which will help the user understand the concept very well.

  3. Master Layout 1 2 WORKSPACE 3 4 TEXT BOX 1 5

  4. Definitions of the components: 1 1.orbital: These are the regions in an atom where electrons are most likely to be found 2.d-orbitals: These are a certain set of orbitals which are found filled in transition metals like Iron, Copper etc. They are important in the study of Complex compounds, which this IDD is dealing with. The d-orbitals are of two types: t2g and eg 3.Complex compounds: compounds made most commonly by Transition metals (like iron, copper, nickel) which involve special bonds, and hence these are classified seperately as complex””. 4.Ligands: These are negatively charged compounds which attach to a transition metal to make complex compounds 2 3 4 5

  5. Analogy / Scenario / Action 1 2 In forming a complex compound, the d-orbitals of a transition metal undergo some changes which cause the complex compounds to have the unique properties which they do. The so-called “Crystal Field Theory” explains this by electronic repulsion between ligands and the electrons in d-orbitals. The ligands approach the metal from different directions, and depending on which orbital is closest to their direction of approach, they cause the energy of it to increase, due to electronic repulsions. 3 4 5

  6. Slide 1 The ligands approaching a transition metal split the d-orbitals in different ways depending on their orientation in space. Please choose one orbital type to know how the degenerate d-orbitals get split in an octahedral field: THESE ARE BUTTONS THAT THE USER CAN CLICK WHICH WILL TAKE THEM TO DIFFERENT INTERACTIVE ANIMATIONS dxy dyz dxz dx2-y2 dz2

  7. OPTION 1: dxySLIDE 1 1 OCTAHEDRAL CASE - dxy 2 3 4 5

  8. ENLARGED VIEW OF THE PARTS – FOR ANIMATOR The three axes X,Y and Z are perpendicular to one another, they are white in colour and will be thin lines. For purposes of reference for the user, the “Z-axis” will be in dashed form, as shown. Against each axis the letters “X”,”Y” or “Z” against the axes indicate which axes it is. The blue and red lobes are solid structures, which are oblong in shape. The sections of these shapes are given below, and in each subsequent case they will be given: The side views along two axes at a time are shown below: This can help build a 3D view of these objects.

  9. OPTION 1: dxySLIDE 2 1 OCTAHEDRAL CASE - dxy 2 3 4 5

  10. OPTION 1: dxySLIDE 3 1 OCTAHEDRAL CASE - dxy 2 3 4 5

  11. OPTION 2: dyzSLIDE 1 1 OCTAHEDRAL CASE - dyz 2 3 4 5

  12. OPTION 2: dyzSLIDE 2 1 OCTAHEDRAL CASE - dyz 2 3 4 5

  13. OPTION 2: dyzSLIDE 3 1 OCTAHEDRAL CASE - dyz 2 3 4 5

  14. OPTION 3: dxzSLIDE 1 1 OCTAHEDRAL CASE - dxz 2 3 4 5

  15. OPTION 3: dxzSLIDE 2 1 OCTAHEDRAL CASE - dxz 2 3 4 5

  16. OPTION 3: dxz SLIDE 3 1 OCTAHEDRAL CASE - dxz 2 3 4 5

  17. OPTION 4: dx2-y2 SLIDE 1 1 OCTAHEDRAL CASE - dx2-y2 2 3 THIS SHOWS THE ENERGY OF THE ORBITALS IN THE COURSE OF THE ANIMATION, TO SHOW TO THE USER HOW IT CHANGES. THE ENLARGED VERSION OF THIS IS SHOWN IN THE NEXT SLIDE. 4 5

  18. ENLARGED VERSION OF THE ENERGY PROFILE ANIMATOR: This applies to all the slides. The thick line moves upwards or downwards, the rest of the energy diagram stays the same. How the thick line moves will be explained in the “actions” table of each case.

  19. OPTION 4: dx2-y2SLIDE 2 1 OCTAHEDRAL CASE - dx2-y2 2 3 4 5

  20. OPTION 4: dx2-y2 SLIDE 3 1 OCTAHEDRAL CASE - dx2-y2 2 3 4 5

  21. OPTION 5: dz2 SLIDE 1 1 OCTAHEDRAL CASE – dz2 2 3 4 5

  22. OPTION 5: dz2 SLIDE 2 1 OCTAHEDRAL CASE – dz2 2 3 4 5

  23. OPTION 5: dz2 SLIDE 3 1 OCTAHEDRAL CASE – dz2 2 3 4 5

  24. Links for further reading Reference websites: http://www.chemtube3d.com/orbitals-d.htm Books: Research papers:

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