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PRESENTED BY-
PRANAV.M
XI A
K. V. NO.2 KASARAGOD

 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

 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

 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

 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

 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
 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

o



THANK YOU!!!

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Lcao ppt

  • 1. 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
  • 9.
  • 10.