Vibrational spectra and theoretical calculations of [(trifluoromethyl)sulfonyl] phosphorimidic trichloride (CF3SO2NPCl3)

Synthesis, spectroscopic characterization and theoretical calculations of ClF2CC(O)NPCl3 ([chloro(difluor)acetyl]phosphorimidic trichloride)

“…CF 3 C(O)NPCl 3 and CCl 3 C(O)NPCl 3 molecules have been described as having an almost planar configuration around the CCNP dihedral angle, and two electronic delocalizations, namely anomeric and mesomeric. Since our interest is mainly focused in acquiring a complete understanding of the geometries and stabilities of compounds possessing the AN@PCl 3 entity, we consider very appropriate to invoke the results reported for ClSO 2 N@PCl 3 [13] and CF 3 SO 2 N@PCl 3 [4]. Both molecules exist as a single form according to the experimental vibrational spectra, also in agreement with the calculated results.…”

“…The structural and vibrational analysis of compounds with phosphorus-nitrogen backbones has been our topic of interest for the last years [1][2][3][4]. The ascertainment of the molecular spatial arrangement is very important, for boosting the development of materials with useful characteristics as in polymer, pharmaceutics and industrial chemistry.…”

“…In our previous studies, the vibro-conformational properties of a series of monophosphazene compounds, i.e. ClSO 2 N@PCl 3 [13], CF 3 C(O)N@PCl 3 , CCl 3 C(O)N@PCl 3 , and CF 3 SO 2 N@PCl 3 [4], were investigated on the basis of infrared and Raman spectra, and theoretical calculations performed at different levels of theory. For all the compounds, only one stable form was experimentally observed in both the liquid and solid phases.…”

Trifluoromethanesulfonamides and Related Compounds

“…The experimental (Fourier transform infrared (FT-IR), Raman spectroscopy) and theoretical (HF, MP2, density functional theory (DFT) calculations) analysis of N-(triflyl)trichlorophosphazene CF 3 SO 2 NPCl 3 was recently performed. 235 The chlorine atoms in N-(triflyl)trichlorophosphazene CF 3 SO 2 NPCl 3 can be substituted by the alkoxy groups, as was shown on the example of formation of the product of complete substitution CF 3 SO 2 NP(OR) 3 in the reaction with sodium hexanolate in benzene. 232 However, our monitoring of the reaction of CF 3 SO 2 NPCl 3 with methanol and trifluoropropanol has shown that the reaction is not as simple as that.…”

“…Perfluoroalkanesulfonylated phosphazenes are easily hydrolyzed at the NP bond to give the corresponding perfluoroalkanesulfonylamides and triphenylphosphine oxide. , normalR normalF SO 2 normalN PPh 3 + normalH 2 O → normalR normalF SO 2 NH 2 + Ph 3 PO The experimental (Fourier transform infrared (FT-IR), Raman spectroscopy) and theoretical (HF, MP2, density functional theory (DFT) calculations) analysis of N -(triflyl)trichlorophosphazene CF 3 SO 2 NPCl 3 was recently performed …”