Question

write the valence bond wave function for the single bond in HF using

a)atomic orbitals

b)hybrid orbitals

BE SURE TO INCLUDE THE SPIN PORTION

Answer 1

a)atomic orbitals

For HF,H(1S) orbital and F(2pz ) orbital forms bonding wave function while 2S,2Px and 2py orbitals of F holds the three lone pair of electrons

bonding wave function,

(r1,r2,s1,s2) =[^H(1s)(1)*F(2pz)(2) +^H(1s)(2)F(2pz(1)] [s1s2-s2s1]

r1,r2 are electron coordinates.

b)for sp3 hybrid orbitals in F, are

X1=1/2[ - 2s(r)+ 2px(r)+2py(r)+ 2pz(r)]

X2=1/2[ - 2s(r)- 2px(r)-2py(r)+ 2pz(r)]

X3=1/2[ - 2s(r)+ 2px(r)-2py(r)- 2pz(r)]

X4=1/2[- 2s(r)- 2px(r)+2py(r)- 2pz(r)]

one of these will overlap with 1S of H to form bonding orbital,

(r1,r2,s1,s2) =[^H(1s)(1)*X1(2) +^H(1s)(2)X1(1)] [s1s2-s2s1]