Sheffield ChemPuter

VSEPR

As part of this component of the Chemputer, I have included a tutorial/guide to the VSEPR rules.

Use this form to build your compound. As an example, the default settings show you how to complete the form for a neutral sulphur compound complex [SCl₂O]. There are a number of points:

Enter the symbol of the central element
For attached groups or atoms, you can:
- use abbreviations such as 'En' provided these start with a capital letter and contain no other capital letters. Thus, En and Thf are OK, en and THF are not.
- use formulae such as PPh₃
- use names such as chloride or chloro
- use formulae such as C₇H₇ (but care, does this mean benzyl or cycloheptatrienyl?)
If the program at the other end of this form doesn't understand any entry or if the entry is ambiguous as in the C₇H₇ case above, it will try and tell you.

Compound of what central element:
Select charge on compound:
Compound contains	ligands or groups of symbol or name

WebElements	InterNet Directory	Chemical Calculators

Additional information

Chemputer URL: http://winter.group.shef.ac.uk/chemputer/
WebElements URL: http://www.webelements.com/
Chemdex URL: http://www.chemdex.org/