Thiazyl fluoride

Thiazyl fluoride, NSF, is a colourless, pungent gas at room temperature and condenses to a pale yellow liquid at 0.4 °C.

[2][3] However, because this synthetic pathway yields numerous side-products, an alternative approach is the reaction of imino(triphenyl)phosphines with sulfur tetrafluoride by cleavage of the bond to form sulfur difluoride imides and triphenyldifluorophosphorane.

For synthesis on a preparative scale, the decomposition of compounds already containing the moiety is commonly used:[5] Lewis acids remove fluoride to afford thiazyl salts:[6] Thiazyl fluoride functions as a ligand in [Re(CO)5NSF]+.

[9] Fluoride gives an adduct: The halogen derivatives XNSF2 (X = F, Cl, Br, I) can be synthesized from reacting Hg(NSF)2 with X2; whereby, ClNSF2 is the most stable compound observed in this series.

[10] At room temperature, thiazyl fluoride undergoes cyclic trimerization via the

The N−S bond length is 1.448 Å, which is short, indicating multiple bonding, and can be represented by the following resonance structures: The NSF molecule has 18 total valence electrons and is isoelectronic to sulfur dioxide.

Thiazyl fluoride adopts Cs-symmetry and has been shown by isotopic substitution to be bent in the ground state.

[11][12] A combination of rotational analysis with Franck-Condon calculations has been applied to study the electronic excitation from the A''

2D contour plot of the electron density using the Laplacian function of thiazyl fluoride.
Frontier molecular orbitals of thiazyl fluoride calculated at the r2SCAN-3c level of theory