PRESENTED BY-

PRANAV.M
XI A
K. V. NO.2 KASARAGOD
 WHAT IS LCAO

 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
 FEATURES OF LCAO

 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.
 BMO

 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.

 PROPERTIES OF BMO

 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
 ABMO

 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

 PROPERTIES OF ABMO

 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.
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