Molecular Orbital Theory (MOT)
This document provides an introduction to molecular orbital theory (MOT), which describes bonding between atoms using molecular orbitals formed from the combination of atomic orbitals. MOT allows prediction of electron distribution, molecular properties like shape and magnetism, and bond order strength. Principles of MOT include molecular orbitals having lower energy than separated atoms, causing electrons to prefer molecular bonds. Sigma and pi bonds are discussed, with sigma bonds symmetrical along the axis and pi bonds having side-by-side overlap with electron density above and below the axis. Bond order is calculated using the number of electrons in bonding and antibonding orbitals and indicates bond strength, with higher bond order meaning stronger, more stable bonds.
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Molecular Orbital Theory (MOT)
- 2. INTRODUCTION MOT - initially developed by Robert S. Mullikan. - the bonding between atoms is described. - provides answers to more complex questions. - allows one to predict the distribution of electrons And this in turn can help predict molecular properties such as shape, magnetism, and Bond Order.
- 3. PRINCIPLES OF MOT In molecules, atomic orbitals combine to form molecular orbitals which surround the molecule. Molecular Orbitals Bonding Antibonding
- 4. Molecular bonds have lower potential energy than in separate atomic orbitals. Thus, electrons prefer to stay in a molecular bond.
- 5. Equal no. of orbitals Order of Energy Atomic orbitals of like energies. Following both the Pauli exclusion principle and Hund's rule Principles
- 8. SIGMA BONDS (σ) They are symmetrical about the axis Antibonding Sigma Orbital (abbreviated σ*) Bonding Sigma Orbital (abbreviated σ)
- 11. PI BONDS (π) The pi bonding bonds as a side to side overlap, which then causes there to be no electron density along the axis, but there is density above and belong the axis.
- 13. DETERMINING BOND ORDER Bond Order indicates the strength of the bond. The higher the Bond Order, the stronger the bond. Bond Order= 1/2(a-b) where, a = number of e- in bonding Molecular Orbitals b = number of e- in antibondng Molecular Orbitals.
- 14. STABILITY OF THE MOLECULE If the Bond Order is Zero, then no bonds are produced and the molecule is not stable (for example He2). If the Bond Order is 1, then it is a single covalent bond. The higher the Bond Order, the more stable the molecule is.