Comment on gas phase infrared spectrum and ab initio calculations of phosphorus(III) thiocyanide, SPCN Academic Article uri icon


  • We show that two of the three bands assigned to SPCN are assignable to cyanogen and that the bands assigned to SPCl are done so in error, with the 712 cm(-1) band in the spectrum of Allaf and Odeh assignable to HCN. There is no evidence for either ClPS or SPCN in the spectra shown. Finally low resolution IR spectroscopy by itself, whilst useful in assisting in the identification of pyrolysis products does not provide unambiguous identification and requires support by rigorous computation, band modelling and correct use of the literature. None of these are evidenced in the present paper of Allaf and Odeh nor indeed in the work that was the subject of our previous criticism and re-analysis.

publication date

  • November 2006