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Question: According to the molecular orbital theory, \({{\rm{C}}_{\rm{2}}}\) molecule has: A. \(1\sigma \) a...

According to the molecular orbital theory, C2{{\rm{C}}_{\rm{2}}} molecule has:
A. 1σ1\sigma and 1π1\pi bond
B. Only 2σ2\sigma bonds
C. Only 2π2\pi bonds
D. 1σ1\sigma and 2π2\pi bond

Explanation

Solution

We can deduce the bonding in a molecule by looking at the molecular orbital diagram for the same as to whether sigma or pi- molecular orbitals are being used for bonding.

Step by step answer: We have various theories for bonding and here we will take up the molecular orbital theory. We can use the molecular orbital theory for drawing molecular orbital diagrams for a molecule which is quite useful in deducing various properties such as bond order or explaining magnetic behavior of the molecule. Let’s have a look at the molecular orbital diagram of C2{{\rm{C}}_{\rm{2}}} molecule that is given below:

We know that one carbon atom has 66 valence electrons which mean a C2{{\rm{C}}_{\rm{2}}} molecule has 1212 electrons in the molecular orbitals. We can write the electronic configuration for C2{{\rm{C}}_{\rm{2}}} molecule with 1212 electrons as follows:
(σ1s)2(σ1s)2(σ2s)2(σ2s)2(π2px2=π2py2){\left( {{\sigma _{1s}}} \right)^2}{\left( {\sigma _{1s}^*} \right)^2}{\left( {{\sigma _{2s}}} \right)^2}{\left( {\sigma _{2s}^*} \right)^2}\left( {\pi _{2{p_x}}^2 = \pi _{2{p_y}}^2} \right)
Now, we can determine the bond order for C2{{\rm{C}}_{\rm{2}}} molecule by using the following formula:
B.O.=Nelectronsinbonding  MONelectronsinantibonding  MO2B.O. = \dfrac{{{{\rm{N}}_{{\rm{electrons in bonding}}\;{\rm{MO}}}} - {{\rm{N}}_{{\rm{electrons in anti - bonding}}\;{\rm{MO}}}}}}{2}
As we can see from the electronic configuration for C2{{\rm{C}}_{\rm{2}}} molecule, we have 88 electrons in bonding molecular orbitals and 44 electrons in antibonding molecular orbitals. Let’s calculate the bond order by substituting these values in the above formula as follows:
B.O.=842 B.O=2 B.O. = \dfrac{{{\rm{8}} - {\rm{4}}}}{2}\\\ \Rightarrow B.O = 2
So, we can say that the two carbon atoms are connected by a double bond.
Now let’s consider this double bond. We can see there are 44 electrons present in 2π2\pi molecular orbitals which means that the double bond is made of 2π2\pi bonds.

Hence, the correct option is C.

Note: Usually, we have known that a double bond is consisted of 1σ1\sigma and 1π1\pi bond but this in true case of C2{{\rm{C}}_{\rm{2}}} molecule. So, we need to consider the occupancy of the molecular orbitals as well.