TUD Organische Chemie | ![]() | Immel | ![]() | Tutorials | ![]() | Orbitals | ![]() | VRML | ![]() | ![]() | View or Print (this frame only) |
Note: The 3D-models presented here represent the "old style" visualizations, these pages are no longer maintained.
A new section using Jmol Models is available on this site, which does not require the installation of additional plugins for your browser.
The following pages provide some 3D-models of hydrogenic atomic orbitals. In order to view these models, an appropriate plugin for viewing VRML (Virtual Reality Modeling Language) files (WRL-file type for plugins such as the CosmoPlayer etc.) must be installed. Please note, that the files for the contour surfaces are rather large (100-1200 KBytes) and, depending on your line speed, may need some time to download. However, for this web-page these representations have been slightly reduced in resolution, and they may not disclose the fine "inner" details of the orbitals appropriately, for high-quality images with enhanced resolution of the different orbitals see the gallery of hydrogenic orbitals and hybrid orbitals. Further informations on how these models were generated and on some background theory is also available from these pages.
The plot files (all 90% probability contours of the electron density ψ2, with different colors blue and yellow corresponding to opposite signs of the wave function ψ, respectively) presented here are not scaled relative to each other, so the size of the orbitals may not be directly compared (for orbitals of "real" atoms see the atomic orbitals derived from DFT calculations). Click on the individual images to obtain the 3D models of the orbitals (a new window will open); the models can be freely rotated after downloading. The picture on the right gives an illustration on how these 3D models look like when displayed with a VRML plugin. For 3D Models of superior quality see the Jmol Models of atomic and hybrid orbitals. For more detailed information on these models see the page about hydrogenic orbitals. |
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Note: The f-orbitals are special in as much as two different sets of functions are commonly in use, the general and the cubic set. The latter cubic set may be appropriate for describing atoms in an environment of cubic symmetry. Both sets have three orbitals in common (nfz3, nfxyz, and nfz(x2-y2) with n = 4 (4f), 5 (5f), ...). |
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For more detailed information on the concept of hybrid orbitals and these models see the page about hybrid orbitals.
Here, only the most commonly used hybrid orbitals are listed, some examples and more detailed descriptions are available here. |