Decades after the initial discovery of bis(2,4,6-trinitrophenyl) ether derivatives, first single-crystal X-ray structures for three members this compound class can finally be shown and analytical data could completed. This group molecules is an interesting example that illustrates why older predictive models sensitivity values energetic materials like bond dissociation enthalpy electrostatic potential sometimes give results deviate significantly from experimentally determined values. By...

The large-scale production of solid-state batteries necessitates the development alternative routes for processing air-sensitive thiophosphate-based solid electrolytes. To set a basis this, we investigate chemical stability and ionic conductivity LGPS-type lithium-ion conductor tetra-Li7SiPS8 (LiSiPS) processed with various organic solvents. We elucidate nature colorful polysulfides that arise during solvent treatment trace back their origin to dissolution Li3PS4-type amorphous side phase...

Abstract Die Einführung einer CH 2 F‐Gruppe in organische Moleküle ist den letzten Jahren zweifellos zu einem sehr wichtigen Forschungsgebiet geworden. Aufgrund der vorteilhaften Eigenschaften von Organofluorverbindungen – wie ihre metabolische Stabilität Einbau als bioisosterer Ersatz für verschiedene funktionelle Gruppen eine attraktive Strategie, um z. B. neue Medikamente entwickeln. Darüber hinaus findet die Monofluormethyleinheit auch Agrochemie, pharmazeutischen Chemie und Feinchemie...

Abstract An improved synthesis of the simplest nitric acid ester, methyl nitrate, and a new fluoromethyl nitrate use metathesis corresponding iodomethanes with silver nitrate. Both compounds were identified by spectroscopy structures determined for in situ grown crystals X‐ray diffraction as well gas phase electron diffraction. Fluorination leads to shorter C−O N−O bonds, has an energetically destabilizing effect increases friction sensitivity, but decreases detonation performance.

Recently the investigation of correlation between crystal structure and important properties such as sensitivity thermostability energetic materials has gained more interest among experts in field. To contribute to this development, several models for prediction have been applied title compounds. Very often, older that focus on bond dissociation enthalpy or electrostatic potential result values differ significantly from actual measurements. However, recent Hirshfeld surface analysis...

(Fluoromethyl)triphenylphosphonium iodide has been prepared in a simple and high yield synthesis. The salt was characterized by vibrational, NMR spectroscopy single‐crystal X‐ray structure analysis. crystallizes an orthorhombic space group Pna 2 1 with four formula units the unit cell. experimental data are discussed together quantum chemically calculated values. title compound is first example of phosphonium containing P‐CH F moiety. Hydrogen bonding crystal fluoromethyl discussed.

Fluoromethyl-2,4,6-trinitrophenylsulfonate has been prepared for the first time and qualified as a simple to use monofluoromethylating reagent. Its molecular structure in solid state determined by single-crystal X-ray diffraction studies. This reagent proves be effective electrophilic introduction of CH2F group into selected chalcogen nitrogen nucleophiles. Monofluoromethyl derivatives various bifunctional N,O-nucleophiles have synthesized using fluoromethyl-2,4,6-trinitrophenylsulfonate....

Fluoroiodomethane was allowed to react with the sodium salts of 5 H ‐tetrazole and 5‐aminotetrazole give in each case two corresponding isomers 1‐fluoromethyl‐5 ( 1a ) 2‐fluoromethyl‐5 1b ), as well 1‐fluoromethyl‐5‐aminotetrazole 2a 2‐fluoromethyl‐5‐aminotetrazole 2b ). The new tetrazoles were isolated characterized by spectroscopic methods (IR, Raman, multinuclear NMR), mass spectrometry, fluoromethyl‐5‐aminotetrazole crystal structures both obtained discussed. Differential thermal...

Reactions of phosphines with iodomethane are well known and investigated. The resulting phosphonium salts used in Wittig reactions or to form ionic liquids. Reaction rates depend on the Tollman parameter as steric factors. occur spontaneously within a few hours. We have found that corresponding fluoroiodomethane significantly slower. times range from one day up 11 days. stable towards air water show also low aqueous toxicity respect Vibrio fisheri bacteria. Due strong electronegativity...

Abstract Eine verbesserte Synthese für den einfachsten Salpetersäureester, Methylnitrat, und eine neue Fluormethylnitrat benutzen die Salzeliminierung der entsprechenden Iodmethane mit Silbernitrat. Beide Verbindungen wurden spektroskopisch durch Strukturbestimmung im Festkörper von in situ erzeugten Kristallen mittels Röntgenbeugung sowie Gasphase Elektronenbeugung identifiziert. Die Fluorierung führt zu Strukturen kürzeren C‐O‐ N‐O‐Bindungen, hat energetisch destabilisierende Wirkung...

A straight forward synthesis and efficient introduction of fluoromethyl group in nitrogen heterocycles is reported. Starting from the respective NH fluoromethylation performed with fluoroiodomethane proceeds under mild reaction conditions. Structural information monofluoromethylated nitrogen‐containing cyclic compounds containing biologically active NCH 2 F moiety are The particularly impressively change physical spectroscopic properties by substitution a methyl monofluoromethyl discussed...

Tertiary alkyl, aryl or amino phosphines PR₃(R = Me,<italic>n</italic>Bu, C₂H₄CN, NEt₂) and the bis[(2-diphenylphosphino)phenyl]ether (POP) were allowed to react with fluoroiodomethane produce fluoromethyl phosphonium salts in yields between 60–99%.

Fluoromethylating agents are a highly studied and controversely discussed class of compounds. New fluoromethyl pseudohalides FCH 2 N 3 , SCN, SeCN were prepared for the first time their physical spectroscopic properties investigated. Their synthesis is performed conveniently by fluoromethylation respective silver or potassium pseudohalogenides with fluoroiodomethane.

Fluoromethyl triflate (superfluoromethyl, SFM, FCH2OSO2CF3) and fluoromethyl fluorosulfonate (magic fluoromethyl, MFM, FCH2OSO2F) are two easily synthesized, highly effective non‐ozone depleting fluoromethylation reagents. They analogous to the well‐known widely used methylation re­agents CH3OSO2CF3 CH3OSO2F. Both SFM MFM have been fully characterized by multinuclear NMR spectroscopy (1H, 13C, 17O, 19F, 33S). Their structures determined in solid state on situ grown crystals X‐ray...

Fluoromethyl triflate (superfluoromethyl, SFM, FCH2OSO2CF3) and fluoromethyl fluorosulfonate (magic fluoromethyl, MFM, FCH2OSO2F) are two easily synthesized, highly effective non-ozone depleting fluoromethylation reagents. They analogous to the well-known widely used methylation re-agents CH3OSO2CF3 CH3OSO2F. Both SFM MFM have been fully characterized by multinuclear NMR spectroscopy (1H, 13C, 17O, 19F, 33S). Their structures determined in solid state on situ grown crystals X-ray...

Tertiary alkyl, aryl or amino phosphines PR3 (R = Me, nBu, C2H4CN, NEt2) and the bis(phosphine) POP were allowed to react with fluoroiodomethane produce fluoromethyl phosphonium salts. New crystal structures of forming salts [R3PCH2F]I R C2H2CN NEt2 obtained gave additional information nearly unknown P-CH2F moiety. The toxicity water soluble salt [Me3PCH2F]I was investigated compared biocide THPS.

The thiono-thiolo rearrangement reaction is well known amongst organothiophosphates (OTP’s) and often used in synthesis. We were able to trap one of the proposed side-products this as a single crystal could determine its structure for first time. Furthermore we kinetic parameters reaction.

Abstract The molecular and single crystal structure of O , -diethyl -[2-(dimethylamino)ethyl] phosphorothioate oxalate, as determined by X-ray diffraction studies, is described for the first time; although this compound well-known industry research from mid-20 th century. known decomposition product pure could also be structurally characterized. Additionally, compounds are characterized recent analytical methods e.g. NMR. findings our study support thesis that isolated must a by-product...