Whats the LCAO theory, and why we assume the orbitals in an atom as a wave for explaining the LCAO theory?
Answers
The molecular orbital are formed by the LCAO of the wave function of the participating atomic orbitals.In LCAO method each molecule has set of Molecular orbital(MO).
POSTULATES OF MOLECULAR ORBITAL THEORY:
1) atomic orbitals combine to form new orbitals called molecular orbitals.
2) When two atomic orbitals combine they loose there identity and form new orbitals.
3) molecular orbitals are the energy state of a molecule in which the electrons of the molecule are filled just as atomic orbital.
4) molecular orbitals gives the electron probability distribution around a group of nucleii.
5) Only those Atomic orbital can combine to form molecular orbitals which have comparable energies and proper orientation.
6) The number of molecular orbitals formed is equal to the number of combining atomic orbitals.
7) When two atomic orbitals combine, They form two new orbitals called bonding molecular orbital and anti-bonding orbitals.
8) The bonding molecular orbital has lower energy and hence greater stability then the corresponding anti-bonding molecular orbital.
9) The bonding molecular orbitals are represented by sigma,pi whereas the corresponding anti-bonding molecular orbitals are represented by sigma star(sigma*),pi star(pi*).
10) The shape of the molecular orbital formed depend upon type of the combining atomic orbitals.
11) The filling of molecular orbitals takes place according to the same rules as those of atomic orbitals (pawli exclusion principle, Hund's maximum multiplicity rule )
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