Order of energy of various molecular orbitals is as follows: Molecular orbitals like the atomic orbitals are filled in accordance with the Aufbau Principle obeying the Pauli’s Principle and the Hund’s rule. First BMO are filled, then ABMO starts filling because BMO has lower energy than that of ABMO. BMO has lower energy and hence greater stability than the corresponding ABMO. One is known as bonding molecular orbital (BMO) whereas other is anti-bonding molecular orbital (ABMO). When two atomic orbitals combine, two molecular orbitals are formed. The number of molecular orbitals formed is equal to the number of combining atomic orbitals. Thus, an atomic orbital is monocentric while a molecular orbital is polycentric. While an electron in atomic orbital is influenced by one nucleus, in a molecular orbital, it is influenced by two or more nuclei depending upon the number of atoms in the molecule. Molecular orbitals are formed by the combination of atomic orbitals of comparable energy and proportional symmetry.
/energylevels-56a129545f9b58b7d0bc9f39.jpg "relative energies of atomic orbitals")
According to this theory, as the electrons of an atom are present in various atomic orbitals, electrons of a molecule are present in various molecular orbitals. Mulliken put forward a theory known as Molecular Orbital Theory to explain above questions and many others. + & + & \xrightarrow\) is paramagnetic? These questions cannot be explained by valence bond theory. When atomic orbital overlaps in phase then B-MO are formed and if overlaps out of phase then ABMO are formed. Chemical bonding and Molecular structure.
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