Question

Problem 2. (10 pts) Hypofluorous acid (HOF) is the only known oxoacid of fluorine. It is prepared by passing F2 gas (stupid toxic/dangerous) through a mixture of H2O/acetonitrile, and is commonly called “Rozen's reagent” in this form (Rozen, S. HOF-CH3CN: Probably the best oxygen transfer agent organic chemistry has to offer. Acc. Chem. Res. 2014, 47, 2378.). (a) Construct the molecular orbital diagram for the conjugate base of HOF, OF. (b) On the basis of your MO diagram, do you think the H is attached to the O or Fin HOF? Why?

Answer 1

Sol :-

(a) From the quesion we have to construct molecular orbital diagram for the conjugate base of HO, ie, OF- as follows :-

501: (a) from the question we have to construct molecukry orbital diagram for the conjugate base of Hof, of as follows - Electronic configuration of Orygen and flourine: - 0(8): 15226224 F(9) = 15%25%2.85 oxygen = 8 electrons Flourine = 9 electoons - Total number of electrons = 18 electoons 1 inco = MO diagram of Of is as follows: 4 1 y 2 t # f2p # # HOMO = T12fg and of 224 LUMO = #26 LT2o TTL Hözspre 94525 level Energy Atomic orbitals of o Tas Scanned with CamScanner molecular orbitals of Atomicoobitals of of OF-

(b) From the molecular orbital diagram we can see that H is attached to O in HOF. Because in HOF, in case of O-H bond O is highly electronegative than H. So its oxidation number is -1. And oxidation number of H is +1. Therefore extra electron of O is filling to HOMO. That electron is shared to H in HOF.