Question

Describe the electronic structure using molecular orbital theory, calculate the bond order of each and decide...

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(σ2s)2(σ2s*)2(π2p)2

KK(σ2s)2(σ2s*)1(π2p)2

   KK(σ2s)2(σ2s*)2(π2p)1

KK(σ2s)2(π2s*)2(π2p)2


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

stable or unstable    

magnetic character

paramagnetic diamagnetic    


(b) B2+

KK(π2s)2(σ2s*)2(π2p)1

KK(σ2s)2(σ2s*)2(π2p)1    

KK(σ2s)2(σ2s*)1(π2p)1

KK(σ2s)2(σ2s*)2(π2p)2


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

stable unstable    

magnetic character

paramagnetic diamagnetic    


(c) O2

KK(σ2s)2(σ2s*)2(π2p)4(σ2p)2(σ2p*)3

KK(σ2s)2(σ2s*)2(π2p)4(σ2p)2(π2p*)3   

KK(σ2s)2(σ2s*)2(π2p)4(σ2p)2(π2p*)1

KK(σ2s)2(σ2s*)2(π2p)4(σ2p)2(π2p*)2


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

stable unstable    

magnetic character

paramagnetic diamagnetic   

Homework Answers

Answer #1

(a) B2

The MO configuration is : KK(σ2s)2(σ2s*)2(π2p)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 π2p(π2px1 π2py1) it is paramagnetic

(b) B2+

The MO configuration is : KK(σ2s)2(σ2s*)2(π2p)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 π2p(π2px1 π2py1) it is paramagnetic

(c) O2-

The MO configuration is : KK(σ2s)2(σ2s*)2(π2p)4(σ2p)2(π2p*)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 π*2p(π*2px1 π*2py1) it is paramagnetic

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