Tài liệu

Thanh N. Truong

Science and Technology

Tóm tắt nội dung

Using molecular orbital theory to explore the differences between covalent bonding and ionic bonding.

Covalent bonding versus ionic bonding

Nội dung

When a two non-metal atoms share some electrons they form a covalent bond.  However, when a metal and non-metal atoms interact, electron(s) is/are transferred from the metal atom to the non-metal atom to form an ionic bond.  We can use quantum chemistry tool in Avisto to learn the differences between these two types of bonding. 

For covalent bond:  H₂, Li₂, and F₂

For ionic bond: Li-F and NaCl

Examine the differences in atomic partial charges, dipole moments, and electrostatic potential surfaces of these molecule.

To use tools in Avisto: Download it Here

Procedure:

1. Using MolDesign to build these diatomic molecules.

2. Use Basic QChem Edu or Basic QChem tool to find the stable structures for these molecules.

3. View results in PsiViewer and report the results.

Example:  H₂ and Li-F

Properites	H2	LiF
Atomic partial charges	H1 = H2 = 0.0	Li = 0.77 and F = -0.77
Dipole moment (D)	0.0	5.28
Electrostatic Potential Surface