Infrared Diode–Laser Spectroscopy of Phosphoryl Bromide (BrPO)

High Resolution Infrared Detection of O=PF in the Gas Phase

“…Their shape indicates that af is much larger than of and of and positive. As it happens, the refined af value of OPF, 7.98 x 10 -3 cm -1 , is extremely close to that of OPC1, 7.94 x 10 -3 cm' 1 [5], and also of OPBr, 79 / 81 Br 7.85 / 7.74 x 10 -3 cm" 1 [14], This is understandable since the wavenumbers of the v x vibrations of OPF, OPC1 and OPBr are very close (1298, 1263, and 1258 cm -1 ), and also the A constants do not differ too much (1.397, 1.120, and 1.021 cm -1 ). On the other hand, q QK 3 clusters of OPF are spread into individual J components while those of OPC1 are compressed into one single line.…”

IR Spectroscopy of OP−X and Derivatives: Mistaken Identity on a Large Scale

“…In a recent IR laser diode study, rovibrational analysis provides conclusive evidence for observation of OPBr, with OP stretch band origins of OP 79 Br and OP 81 Br reported at 1257.844 and 1257.818 cm -1 . 19 The value reported by Boustani and Allaf is 1268 cm -1 , 3 a discrepancy of 10 cm -1 . The explanation is straightforward.…”

“…DFT-calculated vibrational modes, appropriately scaled with known vibrational data, together with a reexamination of the original spectral data in a systematic manner lead to revision of OCNCN assignments and the complete rejection of earlier low resolution vibrational assignments for OPI, 3 OPI 3 , 7 OSbF 3 , OSbCl 3 , 10 OPCN, 4 OPSCN, 5 NSCN, 8 and NSSCN. 9 Conclusive, high-resolution IR studies from the groups of Bu ¨rger 1 and Davies 6,19 show that low resolution gas-phase assignments of OPF, OPCl, 2 and OPBr 3 were spurious also. There are a number of contributing reasons for the flawed assignments of these last 11 molecules and their inclusion in the literature.…”