Detailed Information on Publication Record
2009
New results in the ammonolysis of hexafluorocyclotriphosphazene: Crystal structure of P3N3F5NHP3N3F4NH2
RICHTEROVÁ, Valerie, Milan ALBERTI, Jiří PŘÍHODA, Pavel KUBÁČEK, Jan TARABA et. al.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
Language
English
Type of outcome
Článek v odborném periodiku
Field of Study
10402 Inorganic and nuclear chemistry
Country of publisher
Czech Republic
Confidentiality degree
není předmětem státního či obchodního tajemství
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
Změněno: 3/1/2011 20:14, RNDr. Milan Alberti, CSc.
V originále
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.
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 |
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KAN101630651, research and development project |
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MSM0021622411, plan (intention) |
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