Describe the electronic structure using molecular orbital theory, calculate the

Question

Describe the electronic structure using molecular orbital theory, calculate the bond order of each and decide whether it should be stable. For each state whether the substance is diamagnetic or paramagnetic. (Enter the bond order to 1 decimal place.)

(a) B2

KK(2s)2(2s*)2(2p)2

KK(2s)2(2s*)1(2p)2

   KK(2s)2(2s*)2(2p)1

KK(2s)2(2s*)2(2p)2

bond order------------
-----------stability

stable or unstable    

magnetic character

paramagnetic diamagnetic    

(b) B2+

KK(2s)2(2s*)2(2p)1

KK(2s)2(2s*)2(2p)1    

KK(2s)2(2s*)1(2p)1

KK(2s)2(2s*)2(2p)2

bond order---------
------------stability

stable unstable    

magnetic character

paramagnetic diamagnetic    

(c) O2

KK(2s)2(2s*)2(2p)4(2p)2(2p*)3

KK(2s)2(2s*)2(2p)4(2p)2(2p*)3   

KK(2s)2(2s*)2(2p)4(2p)2(2p*)1

KK(2s)2(2s*)2(2p)4(2p)2(2p*)2

bond order---------
----------stability

stable unstable    

magnetic character

paramagnetic diamagnetic   

Explanation / Answer

(a) B2

The MO configuration is : KK(2s)2(2s*)2(2p)2

Bond order = (1/2) [number of electrons in bonding orbital - number of electrons in anti-bonding orbital)

= (1/2) [4-2]

= 1.0

Since there are unpaired electrons in 2p(2px1 2py1) it is paramagnetic

(b) B2+

The MO configuration is : KK(2s)2(2s*)2(2p)1

Bond order = (1/2) [number of electrons in bonding orbital - number of electrons in anti-bonding orbital)

= (1/2) [3-2]

= 0.5

Since there are unpaired electrons in 2p(2px1 2py1) it is paramagnetic

(c) O2-

The MO configuration is : KK(2s)2(2s*)2(2p)4(2p)2(2p*)3

Bond order = (1/2) [number of electrons in bonding orbital - number of electrons in anti-bonding orbital)

= (1/2) [8-5]

= 1.5

Since there are unpaired electrons in *2p(*2px1 *2py1) it is paramagnetic

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