ROVNANÍK, Pavel, Zdirad ŽÁK and Miloš ČERNÍK. Syntheses of Phosphoryl Chloro- and Bromofluorides and Crystal Structures of POFCl2 and POF2Cl. Zeitschrift für Anorganische und Allgemeine Chemie. Nemecko: Wiley - VCH, 2006, vol. 632, No 7, p. 1356 - 1362. ISSN 0044-2313.
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Basic information
Original name Syntheses of Phosphoryl Chloro- and Bromofluorides and Crystal Structures of POFCl2 and POF2Cl
Name in Czech Syntéza chloro- a bromofluoridu fosforylu a krystalové struktury POFCl2 a POF2Cl
Authors ROVNANÍK, Pavel (203 Czech Republic), Zdirad ŽÁK (203 Czech Republic) and Miloš ČERNÍK (203 Czech Republic, guarantor).
Edition Zeitschrift für Anorganische und Allgemeine Chemie, Nemecko, Wiley - VCH, 2006, 0044-2313.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10402 Inorganic and nuclear chemistry
Country of publisher Czech Republic
Confidentiality degree is not subject to a state or trade secret
Impact factor Impact factor: 1.241
RIV identification code RIV/00216224:14310/06:00016870
Organization unit Faculty of Science
UT WoS 000238340900032
Keywords in English Phosphorus; Fluorides; Crystal structure; Intermolecular association; Phosphoryl fluorohalides
Tags Crystal Structure, Fluorides, Intermolecular association, Phosphorus, Phosphoryl fluorohalides
Changed by Changed by: RNDr. Miloš Černík, CSc., učo 2255. Changed: 30/5/2006 17:41.
Abstract
A simple procedure for the preparation of phosphoryl chlorofluorides, POFCl2 and POF2Cl, by chlorination of the appropriate potassium fluorophosphates, K2PO3F and KPO2F2, respectively, with PCl5 is described. The analogous bromination with PBr5 gives POFBr2 and POF2Br. However, due to low yields and high content of impurities, this method is not suitable for the synthesis of the former compound. Both chlorofluorides were crystallized from the melt at low temperatures and their crystal structures were determined by X-ray diffraction at 120 K. Distorted tetrahedral molecules of POFCl2 are only weakly associated through intermolecular O-Cl contacts forming infinite chains similarly as in crystalline POCl3. In POF2Cl, however, the chains are formed by the O-P contacts, and an additional P-OC-l bridging leads to their linkage into a double-chain structure.
Abstract (in Czech)
V práci je popsán jednoduchý postup pro prípravu chlorofluoridu fosforylu, POFCl2 a POF2Cl, chlorací odpovídajících fluorofosforecnanu draselných, K2PO3F a KPO2F2, pomocí PCl5. Analogická bromace pomocí PBr5 poskytla POFBr2 a POF2Br. V dusledku nízkých výtežku a vysokého obsahu necistot však tato metoda pro syntézu POFBr2 není vhodná . Oba chlorofluoridy byly pri nízkých teplotách krystalovány z taveniny a jejich krystalové struktury byly urceny rentgenovou difrakcí pri teplote 120 K. Ukázalo se, že deformované tetraedrické molekuly POFCl2 jsou pouze slabe asociovány intermolekulárními kontakty O-Cl, jež vedou, podobne jako v krystalickém POCl3, k vytvárení nekonecných retezcu. Naproti tomu, v POF2Cl jsou retezce tvoreny prostednictvím O-P kontaktu a teprve dodatecné P-O-Cl mustky retezce propojují do pásové struktury.
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MSM 143100011, plan (intention)Name: Struktura a vazebné poměry, vlastnosti a analýza syntetických a přírodních molekulových ansamblů
Investor: Ministry of Education, Youth and Sports of the CR, Structure and character of bonding, properties and analysis of synthetic and natural molecular ensembles
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