MO diagram of B2 molecule:

B – 5 – 1 s2 2 s2 2 p1 σ 1s2 σ 2s2 π 2px1

B – 5 – 1 s2 2 s2 2 p1 σ 1s2 σ 2s2 π 2px1

B2 - σ 1s2 σ* 1s2 σ 2s2 σ* 2s2 π 2px1 π 2py1 or KK σ 2s2 σ* 2s2 π 2px1 π 2py1

σ* 2pz0

π* 2px0 π* 2py0

Energy

2p1 2p1

σ 2pz0

π 2px1 π 2py1

σ * 2s2

2s2 2s2

σ 2s2

A.O of B M.O of B2 A.O of B

For Bond order

KK Means Nb and Na is 2

Nb = 2 + 2 + 2 = 6 and Na = 2 + 2 = 4

bond order = ½ [ Nb – Na]

=½ [6–4]

= ½ [2]

=1

Since the value of bond order is one, the two boron atoms in B2
molecule may be regarded as being connected by a single bond.
MO diagram of C2 molecule:

C – 6 – 1 s2 2 s2 2 p2 σ 1s2 σ 2s2 π 2px1 π 2py1

C – 6 – 1 s2 2 s2 2 p2 σ 1s2 σ 2s2 π 2px1 π 2py1

C2 - σ 1s2 σ* 1s2 σ 2s2 σ* 2s2 π 2px1 π 2py1 or KK σ 2s2 σ* 2s2 π 2px1 π 2py1

σ* 2pz0

π* 2px0 π* 2py0

Energy

2p2 2p2

σ 2pz1

π 2px2 π 2py1

σ * 2s2

2s2 2s2

σ 2s2

A.O of C M.O of C2 A.O of C

For Bond order

KK Means Nb and Na is 2

Nb = 2 + 2 + 4 = 8 and Na = 2 + 2 = 4

bond order = ½ [ Nb – Na]

=½ [8–4]

= ½ [4]

=2

Since the value of bond order is two, the two carbon atoms in C2
molecule may be regarded as being connected by a double bond.
MO diagram of N2 molecule:

N – 7 – 1 s2 2 s2 2 p3 σ 1s2 σ 2s2 π 2px1 π 2py1 σ 2pz1

N – 7 – 1 s2 2 s2 2 p3 σ 1s2 σ 2s2 π 2px1 π 2py1 σ 2pz1

N2 - σ 1s2 σ* 1s2 σ 2s2 σ* 2s2 π 2px2 π 2py2 σ 2pz2 or KK σ 2s2 σ* 2s2 π 2px2 π 2py2 σ 2pz2

σ* 2pz0

π* 2px0 π* 2py0

Energy

2p2 2p2

σ 2pz2

π 2px2 π 2py2

σ * 2s2

2s2 2s2

σ 2s2

A.O of N M.O of N2 A.O of N

For Bond order

KK Means Nb and Na is 2

Nb = 2 + 2 + 6 = 10 and Na = 2 + 2 = 4

bond order = ½ [ Nb – Na]

= ½ [ 10 – 4 ]

= ½ [6]

=3

Since the value of bond order is three, the two nitrogen atoms in N2
molecule may be regarded as being connected by a triple bond.
MO diagram of O2 molecule:

O – 8 – 1 s2 2 s2 2 p4 σ 1s2 σ 2s2 π 2px2 π 2py1 σ 2pz1

O – 8 – 1 s2 2 s2 2 p4 σ 1s2 σ 2s2 π 2px2 π 2py1 σ 2pz1
O2 - σ 1s2 σ* 1s2 σ 2s2 σ* 2s2 σ 2pz2 π 2px2 π 2py2 π* 2px1 π* 2py1 or
KK σ 2s2 σ* 2s2 σ 2pz2 π 2px2 π 2py2 π* 2px1 π* 2py1

σ* 2pz0

π* 2px1 π* 2py1

Energy

2p4 2p4

π 2px2 π 2py2

σ 2pz2

σ * 2s2

2s2 2s2

σ 2s2

A.O of O M.O of O2 A.O of O

For Bond order

KK Means Nb and Na is 2

Nb = 2 + 2 + 6 = 10 and Na = 2 + 2 + 2 = 6

bond order = ½ [ Nb – Na]

= ½ [ 10 – 6 ]

= ½ [4]

=2

Since the value of bond order is two, the two oxygen atoms in O 2
molecule may be regarded as being connected by a double bond.
MO diagram of F2 molecule:

F – 9 – 1 s2 2 s2 2 p5 σ 1s2 σ 2s2 π 2px2 π 2py2 σ 2pz1

F – 9 – 1 s2 2 s2 2 p5 σ 1s2 σ 2s2 π 2px2 π 2py2 σ 2pz1
F2 - σ 1s2 σ* 1s2 σ 2s2 σ* 2s2 σ 2pz2 π 2px2 π 2py2 π* 2px2 π* 2py1 σ* 2pz1 or
KK σ 2s2 σ* 2s2 σ 2pz2 π 2px2 π 2py2 π* 2px2 π* 2py1 σ* 2pz1

σ* 2pz1

π* 2px2 π* 2py1

Energy

2p5 2p5

π 2px2 π 2py2

σ 2pz2

σ * 2s2

2s2 2s2

σ 2s2

A.O of F M.O of F2 A.O of F

For Bond order

KK Means Nb and Na is 2

Nb = 2 + 2 + 6 = 10 and Na = 2 + 2 + 4 = 8

bond order = ½ [ Nb – Na]

= ½ [ 10 – 8 ]

= ½ [2]

=1

Since the value of bond order is one, the two fluorine atoms in F2
molecule may be regarded as being connected by a single bond.
MO diagram of Ne2 molecule:

Ne – 10 – 1 s2 2 s2 2 p6 σ 1s2 σ 2s2 π 2px2 π 2py2 σ 2pz2

Ne – 10 – 1 s2 2 s2 2 p6 σ 1s2 σ 2s2 π 2px2 π 2py2 σ 2pz2
Ne2 - σ 1s2 σ* 1s2 σ 2s2 σ* 2s2 σ 2pz2 π 2px2 π 2py2 π* 2px2 π* 2py2 σ* 2pz2 or
KK σ 2s2 σ* 2s2 σ 2pz2 π 2px2 π 2py2 π* 2px2 π* 2py2 σ* 2pz2

σ* 2pz2

π* 2px2 π* 2py2

Energy

2p6 2p6

π 2px2 π 2py2

σ 2pz2

σ * 2s2

2s2 2s2

σ 2s2

A.O of Ne M.O of Ne2 A.O of Ne

For Bond order

KK Means Nb and Na is 2

Nb = 2 + 2 + 6 = 10 and Na = 2 + 2 + 6 = 10

bond order = ½ [ Nb – Na]

= ½ [ 10 – 10 ]

= ½ [0]

=0

Since the value of bond order is Zero.