Experimental and ab initio study of the infrared spectra of ionic species derived from PF5, PF3, and F3PO and trapped in solid neon

Abstract

Experimental and ab initio study of the infrared spectra of ionic species derived from SF 6 and SF 4 and trapped in solid neon

Oxidized Ores as Future Resource for Platinum Group Metals: Current State of Research

“…Experimental spectroscopic and structural data of phosphoryl fluoride (POF 3 ) in the solid state have only been described rarely in literature. IR spectroscopy in inert gas matrices and calorimetric measurements were performed to characterize condensed POF 3 1–3. Structural data are only known for the gas phase 4 .…”

Fluorination of Black Phosphorus—Will Black Phosphorus Burn Down in the Elemental Fluorine?

“…The frequencies from quantum calculations are scaled by 1.15 and are summarized in Table 1 (only the most intensive modes are listed). Although the scaling factor is higher than 1.0, which is unusual, we would like to point that calculated infrared spectra of charged phosphorus species are lower than experimental values for similar fragments, therefore, we used this scaling factor to mimic experimental spectra. In addition, we would like to point that our models aimed to describe the main vibrational modes, but the real phosphorus sample is not an idealized rectangle, but contains more defects.…”

The infrared spectra of BF3+ and BF2OH+ trapped in solid neon

“…The spectra of Fig. 7 show no evidence of new peaks when either D 2 16 O or D 2 18 O is present in the sample. An ∼0.5 cm −1 upward shift in the 1661.6 cm −1 absorption consistently occurs when D 2 O is used, and there is neither any lower frequency counterpart nor any further shift when D 2 18 O is used instead of D 2 16 O.…”

“…Mixtures with Ne:BF 3 :H 2 O = 400:1:1 were prepared for the early studies, but the yield of BF 2 OH was similar to that which appeared without added water. The optimum yield of either normal or isotopically enriched BF 2 OH resulted when the deposition line was pretreated by establishing a slow flow of a Ne:H 2 O = 400:1 mixture or of such a mixture made using D 2 O or D 2 18 O through the system overnight or for a longer time period before starting the experiment. Hereafter, the mole ratios for such experiments will be expressed as 400:1:x, where x, the value for the water isotopolog, is not exactly known but is believed to be ∼1.…”

“…PF 3 and PF 5 both react readily with H 2 O adsorbed on the walls of the vacuum system to form PF 3 O, the infrared absorptions of which were quite prominent in all of the experiments. 2 Also identified in the solid deposit were infrared absorptions of F 3 PO − , F 2 PO, F 2 PO + , FPO, and, tentatively, F 2 PO − . Other experiments on dilute mixtures of SF 4 in a large excess of neon indicated that F 2 SO was present in the SF 4 sample.…”