Lcao ppt

class 11 standard

1. LINEAR COMBINATION OF ATOMIC ORBITALS (LCAO) PRESENTED BY- PRANAV.M XI A K. V. NO.2 KASARAGOD

2. Concept introduced in Molecular orbital theory. to overcome the problem of being unable to solve the Schrödinger equation for a system with more than one electron WHAT IS LCAO

3. According to LCAO atomic orbitals interfere constructively and destructively to form molecular orbitals. If an electron can be found in an atomic orbital belonging to atom A and also to atom B, then the overall wave function is a superposition of the two orbitals . FEATURES OF LCAO

4. BMO-bonding molecular orbitals are formed when wave functions of atomic orbitals are added- There occurs constructive interference of atomic orbitals- Atomic orbitals overlap each other in phase. BMO

5. Electron density is located between the nuclei- reduces repulsion between them- reduces the energy of the molecular orbital- stabilizes the system The energy of BMO is always less than the participating atomic orbitals PROPERTIES OF BMO

6. ABMO-antibonding molecular orbitals are formed when- Wave functions of atomic orbitals are subtracted- There occurs destructive interference of atomic orbitals- Atomic orbitals overlap without phase ABMO

7. Electron density is located far away from the two nuclei which creates a nodal plane between the nuclei- Increases repulsion between them- Increases the energy of the system- Destabilizes the molecule The energy of ABMO is higher than that of parent atomic orbitals. PROPERTIES OF ABMO

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