Use MO theory to predict the bond orders of the following molecular ions.Which one is the most stable?

Question

Quizplus · Accepted Answer

First, we need to fill the molecular orbitals with the given electrons. We start by constructing the molecular orbitals diagram: Now, we fill the orbitals according to the number of available electrons: A) BN⁺: This ion has 11 electrons. The antibonding sigma-p* orbital has 1 electron while the sigma-p and sigma-s orbitals are filled. The bond order is (1/2)(2-1)+(1/2)(2-0)+(1/2)(0-1) = 1/2. B) BC⁺: This ion has the same electron configuration as A. C) CNF1F1F1S1^F1F1F10: This ion has 13 electrons. The antibonding sigma-p* orbital has 1 electron while the sigma-p and sigma-s orbitals are filled. The antibonding pi-p* orbital has 1 electron while the pi-p orbital has 2 electrons. The bond order is (1/2)(2-1)+(1/2)(2-0)+(1/2)(2-1)+(1/2)(0-1)+(1/2)(1-1)+(1/2)(1-1) = 3/2. D) NF^-: This ion has 11 electrons. The antibonding sigma-p* orbital has 1 electron while the sigma-p and sigma-s orbitals are filled. The bond order is (1/2)(2-1)+(1/2)(2-0)+(1/2)(1-1) = 1/2. E) OF⁺: This ion has 11 electrons. The antibonding sigma-p* orbital has 1 electron while the sigma-p and sigma-s orbitals are filled. The bond order is (1/2)(2-1)+(1/2)(2-0)+(1/2)(1-1) = 1/2. Among the given options, the ion with the highest bond order and therefore the most stable is C.

Use MO Theory to Predict the Bond Orders of the Following