Expt # 3

Date: 24th October 2018.

Title: Computational Molecular Modeling

Aim: To determine bond angles of some simple covalent molecules using VSEPR theory

Apparatus/ Materials:

https://phet.colorado.edu/en/simulation/molec computer, internet

ule-shapes

Procedure:

1. VSEPR theory was used to predict the shape and polarity of each of the molecules below
(Tabulate your Results):

The Dot Cross structure was drawn.

The Dot Cross structure was converted to the Lewis Structure by replacing bonding pairs with lines and
including all the nonbonding pairs as lone pairs around the different atoms.

Three-dimensional stereochemical structure was drawn to indicate the shape, using dash and wedge
bonds where appropriate.

The name of the shape was given.

The molecule was predicted as polar or nonpolar.

a) SF 2
b) HCN
c) SO2
d) PCl 3
e) NH4+
f) PCl 5
g) SF 6
h) BF 3
2. For each molecule, all the bond angles around the central atom where determined as follows:

A Computational mathematical VSEPR model of the molecule was built by using the PHET simulation
software.

The molecule was rotated, and all the bond angles predicted by the software were recorded.

Results and Observations:

(All drawings for each molecule are placed here.

Discussion

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Conclusion: The unknown metal ion present was found to be Lithium ( Li .