Preparation, Characterization, and Crystal Structures of the SO3NHF− and SO3NF2− Ions

Haiges, Ralf; Wagner, Ross I.; Boatz, Jerry A.; Yousufuddin, Muhammed; Etzkorn, Markus; Prakash, G. K. Surya; Chapman, Robert D.; Welker, Mark F.; Kreutzberger, Charles B.

doi:10.1002/anie.200601020

Cited by 15 publications

(4 citation statements)

References 35 publications

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“…1,5-Dichloropentan-3-one can be synthesized via the reaction of 3-chloropropionyl chloride, ethylene and aluminum chloride. [46] Then, by the following processes of amination, [47] amidation, [8,9] fluorination [8,9] and difluoroamination, [48] S 3 could be gained.…”

Section: Synthetic Route Consideration Of Smentioning

confidence: 99%

Molecular Design and Property Prediction for a Series of 3,3-Bis(difluoroamino)-1,5-substituted-pentane Derivatized as Energetic Plasticizers

王万军¹,

李欢²,

潘仁明³

et al. 2019

Chin. J. Org. Chem.

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3,3-Bis(difluoroamino)-1,5-dinitratopentane was used as energetic plasticizer with improving energy properties and low glass transition temperature. To obtain more new difluoroamino energetic compounds with similar sturctures, a series of 3,3-bis(difluoroamino)-1,5-substituted-pentane derivatives were designed as candidates of novel energetic plasticizers. The heats of formation (HOFs), electronic structure, energy property and thermal stability were studied using density functional theory (DFT) method. The difluoroamino groups can increase energy gaps of electronic structure, density and detonation properties among the title compounds. Especially, 1,3,3,5-tetra(difluoroamino)pentane (S 3) has given outstanding values of potential energetic plasticizer. Its crystal density (1.91 g/cm 3), detonation velocity (9.01 km/s), detonation pressure (37.31 GPa) and impact sensitivity (h 50 29.83 cm) are very close to those of cyclotetramethylenetetranitramine (HMX). Furthermore, S 3 can be synthesized via some mature processes in five steps.

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Section: Synthetic Route Consideration Of Smentioning

confidence: 99%

Molecular Design and Property Prediction for a Series of 3,3-Bis(difluoroamino)-1,5-substituted-pentane Derivatized as Energetic Plasticizers

王万军¹,

李欢²,

潘仁明³

et al. 2019

Chin. J. Org. Chem.

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“…Crystal structures have been reported for the mono-and difluorosulfamate anions F − NHSO 3 and F 2 − NSO 3 , respectively. 48 A report on growing single-crystal sulfamic acid from aqueous solution by the Sanakaranarayanan−Ramasamy method has been reported. 49 X-ray powder diffraction, Raman, FTIR, and optical transmission studies were performed.…”

Section: Structural Studiesmentioning

confidence: 99%

“…A twist–boat or skew conformation is favored over a chair form. Crystal structures have been reported for the mono- and difluorosulfamate anions F – NHSO 3 and F 2 – NSO 3 , respectively …”

Section: Sulfamic Acidmentioning

confidence: 99%

Sulfamic Acid and Its N- and O-Substituted Derivatives

2013

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“…Affected by the unstable structures, difluoroamino compounds have not been practically use until 1980 th , while Chapman et al [2] found the similar cyclic structure with cyclotrimethylenetrinitramine (RDX) or cyclotetramethylenetetranitroamine (HMX) to keep difluoroamino group stable. This result opened the floodgate to some new kinds of difluoroamino compounds [3,4] and new routes for difluoroamino group introducing [5][6][7].…”

Section: Introductionmentioning

confidence: 99%

Synthesis and Characterization of 3-Difluoroaminomethyl-3-methyl Oxetane and its Homopolymer

Pan

Wang

et al. 2014

AMM

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3-Difluoroaminomethyl-3-methyl oxetane (DFAMO) was synthesized via the process of bromination, cyclization, ammonification, amino protection and fluorination with a total yield of 43% and GC purity of 96%. DFAMO was characterized by 1H, 19F, 13C nuclear magnetic resonance (NMR), fourier transform infra red (FTIR) and element analysis. The homopolymer of 3-difluoroaminomethyl-3-methyloxetane (PDFAMO), considered as energetic binder to be used in solid propellants and polymer bonded explosives, with a number-average molecular weight (Mn) about 3000 was synthesized via cationic ring-opening polymerization using boron trifluoride etherate (BTFE) as Lewis acid catalyst, 1,4-butanediol (BDO) as initiator and 1,2-dichloroethane (DCE) as aprotic solvent. The effects of BTFE/BDO feeding molar ratio and temperature of the polymerization reaction were discussed. The structure of PDFAMO was characterized by 1H and 19F NMR.

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Preparation, Characterization, and Crystal Structures of the SO₃NHF⁻ and SO₃NF₂⁻ Ions

Cited by 15 publications

References 35 publications

Molecular Design and Property Prediction for a Series of 3,3-Bis(difluoroamino)-1,5-substituted-pentane Derivatized as Energetic Plasticizers

Molecular Design and Property Prediction for a Series of 3,3-Bis(difluoroamino)-1,5-substituted-pentane Derivatized as Energetic Plasticizers

Sulfamic Acid and Its N- and O-Substituted Derivatives

Synthesis and Characterization of 3-Difluoroaminomethyl-3-methyl Oxetane and its Homopolymer

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