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

RICHTEROVÁ, Valerie, Milan ALBERTI, Jiří PŘÍHODA, Pavel KUBÁČEK, Jan TARABA and Zdirad ŽÁK. New results in the ammonolysis of hexafluorocyclotriphosphazene: Crystal structure of P3N3F5NHP3N3F4NH2 (New results in the ammonolysis of hexafluorocyclo-triphosphazene: Crystal structure of P3N3F5NHP3N3F4NH2). Polyhedron. UK: Elsevier, 2009, vol. 2009, No 28, p. 3078-3086. ISSN 0277-5387.

Basic information

• Original name: New results in the ammonolysis of hexafluorocyclotriphosphazene: Crystal structure of P3N3F5NHP3N3F4NH2
• Name in Czech: Nové výsledky v amonolýze hexafluorocyklotrifosfatenu: Krystalová struktura P3N3F5NHP3N3F4NH2
• Authors: RICHTEROVÁ, Valerie (203 Czech Republic, belonging to the institution), Milan ALBERTI (203 Czech Republic, guarantor, belonging to the institution), Jiří PŘÍHODA (203 Czech Republic, belonging to the institution), Pavel KUBÁČEK (203 Czech Republic, belonging to the institution), Jan TARABA (203 Czech Republic) and Zdirad ŽÁK (203 Czech Republic, belonging to the institution).
• Edition: Polyhedron, UK, Elsevier, 2009, 0277-5387.

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: 2.207
• RIV identification code: RIV/00216224:14310/09:00036901
• Organization unit: Faculty of Science
• UT WoS: 000271358700037
• Keywords (in Czech): krystalová struktura fluorofosfazeny DFT konformační polymorfismus
• Keywords in English: crystal structure fluorophosphazene DFT conformational polymorphism
• Tags: International impact, Reviewed

Abstract

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.

Abstract (in Czech)

Reakce fluorofosfazenu P3N3F6 s amoniakem vedla k tvorbě nových sloučenin (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-trienu, P3N3F5NHP3N3F4NH2 (2) a dále k cis a trans isomerům non-gem-2,4-diamino-2,4,6,6-tetrafluoro-2k5,4k5,6k5-cyclo-triphosphaza-1,3,5-trienu P3N3F4(NH2)2 (4, 5),

Links

• GA203/02/0436, research and development project: Name: Aplikace krystalografických databází ve vědecké praxi
• KAN101630651, research and development project: Name: Tvorba nano-vrstev a nano-povlaků na textiliích s využitím plazmových povrchových úprav za atmosférického tlaku

Investor: Academy of Sciences of the Czech Republic, Preparation of nano-films and nano-coatings on textiles using plasma surface treatment at atmospheric pressure

• MSM0021622411, plan (intention): Name: Studium a aplikace plazmochemických reakcí v neizotermickém nízkoteplotním plazmatu a jeho interakcí s povrchem pevných látek

Investor: Ministry of Education, Youth and Sports of the CR, Study and application of plasma chemical reactions in non-isothermic low temperature plasma and its interaction with solid surface