Assuming 2s-2p mixing in NOT operative, the paramagnetic species among the following is
C2 → (Be) (σ 2pz2) (π2px1 π2py1)
To determine which species is paramagnetic, we need to analyze their molecular orbital (MO) configurations. Paramagnetic species have unpaired electrons, while diamagnetic species have all electrons paired. Since 2s-2p mixing is not operative, the energy order of molecular orbitals follows the standard sequence: σ1s < σ*1s < σ2s < σ*2s < σ2pz < π2px = π2py < π*2px = π*2py < σ*2pz.
Let's evaluate each option step by step:
Step 1: Determine the total number of electrons for each molecule.
B2: Boron atomic number is 5, so B2 has 10 electrons.
Be2: Beryllium atomic number is 4, so Be2 has 8 electrons.
C2: Carbon atomic number is 6, so C2 has 12 electrons.
N2: Nitrogen atomic number is 7, so N2 has 14 electrons.
Step 2: Write the MO electron configuration for each without 2s-2p mixing.
The order is: σ1s² σ*1s² σ2s² σ*2s² σ2pz² π2px² π2py² π*2px⁰ π*2py⁰ σ*2pz⁰
We fill electrons according to Aufbau principle, Hund's rule, and Pauli exclusion principle.
For B2 (10 electrons):
Configuration: σ1s² σ*1s² σ2s² σ*2s² (σ2pz² π2px¹ π2py¹)
Since σ2pz is lower than π2p, we fill σ2pz first. After σ*2s² (4 electrons used), next 6 electrons: σ2pz takes 2 electrons, then π2p orbitals take 4 electrons, but only 4 electrons remain, so π2px and π2py get 2 electrons each? Wait, actually, after σ*2s², we have 6 electrons to place. σ2pz orbital can hold 2 electrons, then π2p orbitals (degenerate) can hold up to 4 electrons. So for 6 electrons: σ2pz² (2 electrons), then π2px² π2py² (4 electrons). All electrons are paired. But this would be diamagnetic. However, experimentally B2 is paramagnetic due to 2s-2p mixing, but here mixing is not operative, so it should be diamagnetic. Let's confirm the configuration:
Total electrons: 10. After core (σ1s² σ*1s²) ignore for valence, valence electrons: 6 (from 2s and 2p). σ2s² σ*2s² uses 4 electrons, then σ2pz² uses 2 electrons, then π2p orbitals: but only 0 electrons left? No, 6 valence electrons: σ2s² σ*2s² (4 electrons), then σ2pz² (2 electrons) — all paired. So B2 should be diamagnetic without mixing.
Correction: Valence electrons only consider 2s and 2p. For B2, total valence electrons = 3+3=6.
So configuration: σ2s² σ*2s² σ2pz² π2px⁰ π2py⁰. All paired, diamagnetic.
For Be2 (8 electrons, valence electrons=4):
Configuration: σ2s² σ*2s². All paired, diamagnetic. Also, Be2 does not exist stably.
For C2 (12 electrons, valence electrons=8):
Configuration: σ2s² σ*2s² σ2pz² π2px² π2py⁰? Wait, 8 valence electrons: after σ2s² σ*2s² (4 electrons), σ2pz² (2 electrons, total 6), then π2p orbitals: 2 electrons left, which go into π2px and π2py. Since they are degenerate, Hund's rule applies: π2px¹ π2py¹ — two unpaired electrons. So paramagnetic.
For N2 (14 electrons, valence electrons=10):
Configuration: σ2s² σ*2s² σ2pz² π2px² π2py². All paired, diamagnetic.
Therefore, without 2s-2p mixing, C2 is paramagnetic due to two unpaired electrons in the π orbitals.
Final Answer: C2 is the paramagnetic species.
Molecular Orbital Theory: Describes the electronic structure of molecules using molecular orbitals formed by the combination of atomic orbitals. Key points:
Standard MO Energy Order (without mixing):
For B2, C2, etc., without 2s-2p mixing: σ1s < σ*1s < σ2s < σ*2s < σ2pz < π2px = π2py < π*2px = π*2py < σ*2pz
With mixing, the order changes, but here it is not operative.