Dinitrogen Monofluoride

The existence of N2F has been postulated as an intermediate in several reactions. Examples are the reactions of NF2 with N or H atoms (cf. p. 349 and p. 343, respectively) or the thermal decomposition of NF2 above 1000 K (cf. p. 332). 

MO calculations using a minimum basis set of Slater-type orbitals and assumed geometric parameters were carried out. The highest amount of the calculated unpaired electron density is at the central nitrogen nucleus of the NNF radical. 

From the appearance potentials of N2F in mass spectra of cis-N2F2 (14.0 eV) and trans-N2F2 (13.9 eV) [6], AH° = 321 kcal/mol for gaseous N2F was derived [7]. 

geometry-optimized MO-SCF calculations for linear NpF gave bond distances r(N-N) = 1.10 and r(N-F)=1.28 A [9]. Contrary to a previous assumption [4], the NF bond is probably much shorter than in NFg (1.37 A) [9]. 

Chemical shifts 6 and coupling constants J( N- F) obtained from room temperature F and NMR spectra of NgF AsFe dissolved in anhydrous HF are given below  

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