|
Prerequisites: You have completed previous examples or already know how to
Setup for Display: To approximate the screen displays in this example, set the following options in the Builder:
In the Builder | ||
a. | ![]() Turn on the axis display (View menu, Axes command). |
|
![]() |
The atom will be automatically located at the origin. | |
b. | Open the Symmetry Toolkit and assign a D5H
symmetry.![]() |
|
c. | ![]() |
|
![]() |
Note the five-fold symmetry axis is the Z axis containing two ghost atoms, one at +1 and one at -1. |
- | ![]() |
|
![]() |
This adjusted ghost atom will serve as an anchor for positioning carbons. The image shown here is rotated around the Y axis with the Display menu's Transparency option turned on. |
a. | ![]() ![]() |
|
b. | ![]() |
|
![]() |
For these adjustments, be sure to select the carbon atom last so that it is the atom that moves. |
|
c. | ![]() |
|
d. | ![]() |
|
![]() |
Be sure to select the carbon atom last. | |
e. | ![]() |
|
![]() |
![]() |
|
f. | ![]() |
a. | ![]() |
|
b. | ![]() |
|
c. | ![]() |
|
d. | ![]() |
|
![]() |
This completes the irreducible fragment that will be the basis for generating the completed ferrocene molecule. |
a. | ![]() |
|
b. | ![]() |
|
![]() |
The result should be a complete ferrocene molecule with eclipsed hydrogen atoms. |
To generate ferrocene with staggered hydrogen atoms as in the crystal structure, you need to regenerate the molecule based on D5D symmetry. | ||
a. | ![]() |
|
b. | Assign a D5D symmetry in the Symmetry Toolkit.![]() |
|
c. | ![]() |
|
![]() |
|
|
The result should be a complete ferrocene molecule with staggered hydrogen atoms. |
Ecce Online Help Revised: August 14, 2003 |
Disclaimer |