The Hückel molecular orbital of benzene that is degenerate with the molecular orbital 2 + χ3 − χ5 − χ6), is

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CSIR-UGC (NET) Chemical Science: Held on (15 Dec 2019)
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  1. (2χ1 + χ2 − χ3 − 2χ4 − χ5 + χ6)
  2. 2 − χ3 + χ5 − χ6)
  3. (2χ1 − χ2 − χ3 + 2χ4 − χ5 − χ6)
  4. 1 − χ2 + χ3 − χ4 + χ5 − χ6)

Answer (Detailed Solution Below)

Option 1 : (2χ1 + χ2 − χ3 − 2χ4 − χ5 + χ6)
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10 Qs. 20 Marks 15 Mins

Detailed Solution

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Explanation:-

  • For, the Hückel molecular orbital 

2 + χ3 − χ5 − χ6), the number of nodes is 2,

  • Thus, the degenerate molecular orbital with this molecular orbital must also have 2 nodes.

(1) For the molecular orbital (2χ1 + χ2 − χ3 − 2χ4 − χ5 + χ6)

The number of nodes is = 2

(2) For the molecular orbital 2 − χ3 + χ5 − χ6)

The number of nodes = 3

(3) For the molecular orbital (2χ1 − χ2 − χ3 + 2χ4 − χ5 − χ6)

The number of nodes = 3

(3) For the molecular orbital (χ1 − χ2 + χ3 − χ4 + χ5 − χ6)

The number of nodes = 5

  • Thus, the Hückel molecular orbital of benzene (2χ1 + χ2 − χ3 − 2χ4 − χ5 + χ6) also has 2 nodes.

Conclusion:-

Hence, the Hückel molecular orbital of benzene that is degenerate with the molecular orbital ​(χ2 + χ3 − χ5 − χ6), is​ (1 + χ2 − χ3 − 2χ4 − χ5 + χ6)

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