About: New results in the ammonolysis of hexafluorocyclotriphosphazene: Crystal structure of P3N3F5NHP3N3F4NH2

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About: New results in the ammonolysis of hexafluorocyclotriphosphazene: Crystal structure of P3N3F5NHP3N3F4NH2 Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The reaction of hexafluoro-cyclo-triphosphazene P3N3F6 with ammonia in acetonitrile has been studied. New compounds, (2-imino-2,4,4,6,6-pentafluoro-2k5,4k5,6k5-cyclo-triphosphaza-1,3,5-trienyl)-2-amino- 4,4,6,6-tetrafluoro-2k5,4k5,6k5-cyclo-triphosphaza-1,3,5-triene, P3N3F5NHP3N3F4NH2 (2) and cis and trans isomers of non-gem-2,4-diamino-2,4,6,6-tetrafluoro-2k5,4k5,6k5-cyclo-triphosphaza-1,3,5-triene, P3N3F4(NH2)2 (4, 5), were detected by GC/MS, and 31P NMR spectroscopy in reaction mixtures. X-ray diffraction analysis of P3N3F5NHP3N3F4NH2 (2) revealed two conformational polymorphs, 2A and 2B, the latter being built up of two different conformers that were further denoted as 2Ba (the same as the single conformer in 2A) and 2Bb. The compound 2 was characterized by spectroscopic methods and its 2D potential energy surface (PES) was described by density functional theory computations depending on two dihedral angles. conformers 2Ba and 2Bb seems to be governed by crystal packing effects. The reaction of hexafluoro-cyclo-triphosphazene P3N3F6 with ammonia in acetonitrile has been studied. New compounds, (2-imino-2,4,4,6,6-pentafluoro-2k5,4k5,6k5-cyclo-triphosphaza-1,3,5-trienyl)-2-amino- 4,4,6,6-tetrafluoro-2k5,4k5,6k5-cyclo-triphosphaza-1,3,5-triene, P3N3F5NHP3N3F4NH2 (2) and cis and trans isomers of non-gem-2,4-diamino-2,4,6,6-tetrafluoro-2k5,4k5,6k5-cyclo-triphosphaza-1,3,5-triene, P3N3F4(NH2)2 (4, 5), were detected by GC/MS, and 31P NMR spectroscopy in reaction mixtures. X-ray diffraction analysis of P3N3F5NHP3N3F4NH2 (2) revealed two conformational polymorphs, 2A and 2B, the latter being built up of two different conformers that were further denoted as 2Ba (the same as the single conformer in 2A) and 2Bb. The compound 2 was characterized by spectroscopic methods and its 2D potential energy surface (PES) was described by density functional theory computations depending on two dihedral angles. conformers 2Ba and 2Bb seems to be governed by crystal packing effects. (en)
Title	New results in the ammonolysis of hexafluorocyclotriphosphazene: Crystal structure of P3N3F5NHP3N3F4NH2 New results in the ammonolysis of hexafluorocyclotriphosphazene: Crystal structure of P3N3F5NHP3N3F4NH2 (en)
skos:prefLabel	New results in the ammonolysis of hexafluorocyclotriphosphazene: Crystal structure of P3N3F5NHP3N3F4NH2 New results in the ammonolysis of hexafluorocyclotriphosphazene: Crystal structure of P3N3F5NHP3N3F4NH2 (en)
skos:notation	RIV/00216224:14310/09:00036901!RIV11-GA0-14310___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/02/0436), P(KAN101630651), Z(MSM 143100011), Z(MSM0021622411)
http://linked.open...iv/cisloPeriodika	28
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Kubáček, Pavel Žák, Zdirad Alberti, Milan Příhoda, Jiří Richterová, Valerie
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Masarykova univerzita / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	329458
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/09:00036901
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	crystal structure fluorophosphazene DFT conformational polymorphism (en)
http://linked.open.../riv/klicoveSlovo	crystal structure fluorophosphazene DFT conformational polymorphism
http://linked.open...odStatuVydavatele	CZ - Česká republika
http://linked.open...ontrolniKodProRIV	[A47F09A0BCD6]
http://linked.open...i/riv/nazevZdroje	Polyhedron
http://linked.open...in/vavai/riv/obor	CA
http://linked.open...ichTvurcuVysledku	5 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	Preparation of nano-films and nano-coatings on textiles using plasma surface treatment at atmospheric pressure Application of Crystallographic Databases in Scientific Practice
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	2009
http://linked.open...iv/tvurceVysledku	Alberti, Milan Příhoda, Jiří Žák, Zdirad Kubáček, Pavel Richterová, Valerie Taraba, Jan
http://linked.open...ain/vavai/riv/wos	2.207
http://linked.open...n/vavai/riv/zamer	Study and application of plasma chemical reactions in non-isothermic low temperature plasma and its interaction with solid surface http://linked.opendata.cz/resource/domain/vavai/zamer/MSM%20143100011
issn	0277-5387
number of pages	9 (xsd:int)
http://localhost/t...ganizacniJednotka	14310
is http://linked.open...avai/riv/vysledek of	New results in the ammonolysis of hexafluorocyclotriphosphazene: Crystal structure of P3N3F5NHP3N3F4NH2 New results in the ammonolysis of hexafluorocyclotriphosphazene: Crystal structure of P3N3F5NHP3N3F4NH2 New results in the ammonolysis of hexafluorocyclotriphosphazene: Crystal structure of P3N3F5NHP3N3F4NH2

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