Question

discuss lcao giving physical singnafinac of bonding and antibonding molecular why are so called​

Answer 1

Answer:

This exercise follows directly from the experiment on atomic orbitals that you have already done. The text that follows is not intended to be complete, but only a summary of material that should be covered in the lectures. The molecular orbital simulating program will be used several times.

Covalent Bonding in H2

In studying atomic structure, you learned that a Schrödinger equation could be written for the hydrogen atom, and that this equation could be exactly solved. The previous exercise illustrated some of the solutions of this equation: the wave functions ψ (psi). Rather crude representations of the atomic orbitals called 1s and 2p.Remember that the sign (+ or -) shown on the figure has no physical significance, and simply indicates the sign of the numerical value of ψ in this region of space. Nevertheless, these signs are of importance.

It is a simple matter to write down the Schrödinger equation for a molecule. However, the resultant equation cannot be solved exactly except for the H+2 ion. Various approximate methods are used to circumvent this difficulty. The one we will illustrated in this dry lab is called the molecular orbital (MO) approach.

Answer 2

In chemistry, a molecular orbital is a mathematical function describing the location and wave-like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region. The term orbital was introduced by Robert S. Mulliken in 1932 as an abbreviation for one-electron orbital wave function.At an elementary level, it is used to describe the region of space in which the function has a significant amplitude. In an isolated atom, the orbital electrons' location is determined by functions called atomic orbitals.

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