For A Heteronuclear Diatomic Molecule A Bonding And Antibonding Molecular Orbita

c/ based on the form of the bonding and anti bonding orbitals which atom A or B is more electronegative?

e/ what is the charge density in the bonding orbitals?? The anti bonding orbital??

For a heteronuclear diatomic molecule a bonding and antibonding molecular orbital w canbe approximately written as:Y BO = N BORO A + 10@g}" do = Nao t-1041+ $B}where @ and @g are two normalized atomic orbitals centered on nucleus A and Brespectively and No and Nso are normalization constants. The above form of thebonding and antibonding orbitals assumes that the atomic orbital overlap is negligible(i.e. SAB 0). The energy of these states is approximately given by:E = / Y’AV dtwhere ‘ can be the bonding or antibonding orbital.a)Normalize the wave functions. Remember that the atomic overlap integral is takento be 0.b)Show that the overlap between the bonding and antibonding orbital is zero. Hence,they are orthogonal.c)Based on the form of the bonding and antibonding orbitals which atom, A or B, ismore electronegative?d) Calculate the energy of the bonding and antibonding orbitals. Use the abbreviations:a, =fo’ Holdt, a, =fo’, Hour and B=ffHo,dt.e)What is the charge density in the bonding orbital? the antibonding orbital? (Thecharge density is simply the probability density multiplied by the electronic charge,e).


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