Biomaterial Database

Solid-state nuclear magnetic resonance investigations on chlorocyclophosphazenes. 1995

S Paasch, and K Krüger, and B Thomas

Department of Chemistry, University of Mining and Technology, Freiberg, Germany.

The present study deals with solid-state nuclear magnetic resonance (NMR) investigations on hexachlorocyclotriphosphazene (N3P3Cl6) and T and K form of octachlorocyclotetraphosphazene (N4P4Cl8). Using 31P NMR we have recorded spectra of different magic-angle spinning (MAS) frequencies and static powder spectra. By means of the analysis of spinning sideband intensities the isotropic chemical shifts and the principal values of the chemical shift tensor could be determined. Because of the interactions between phosphorus and the neighbouring chlorine nuclei in the MAS spectra of N3P3Cl6 and N4P4Cl8 more lines were found to exist than was expected with regard to the isotropic chemical shift values according to the crystallographic phosphorus positions. To support this evidence solid-state spectra of the geminally disubstituted compound 2,2,4,4-tetrachloro-6,6-bisthiophenylcyclotriphosphazene [N3P3Cl4(SPh)2] were used. In addition, by means of the individual gauched localized orbitals (IGLO) method 31P NMR chemical shifts, principal values and the orientation of the principal axes of the shielding tensor were calculated for the chlorocyclophosphazenes.

UI	MeSH Term	Description	Entries
D008958	Models, Molecular	Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures.	Molecular Models,Model, Molecular,Molecular Model
D009682	Magnetic Resonance Spectroscopy	Spectroscopic method of measuring the magnetic moment of elementary particles such as atomic nuclei, protons or electrons. It is employed in clinical applications such as NMR Tomography (MAGNETIC RESONANCE IMAGING).	In Vivo NMR Spectroscopy,MR Spectroscopy,Magnetic Resonance,NMR Spectroscopy,NMR Spectroscopy, In Vivo,Nuclear Magnetic Resonance,Spectroscopy, Magnetic Resonance,Spectroscopy, NMR,Spectroscopy, Nuclear Magnetic Resonance,Magnetic Resonance Spectroscopies,Magnetic Resonance, Nuclear,NMR Spectroscopies,Resonance Spectroscopy, Magnetic,Resonance, Magnetic,Resonance, Nuclear Magnetic,Spectroscopies, NMR,Spectroscopy, MR
D010753	Phosphoranes	Inorganic or organic compounds that contain pentavalent phosphorus and the general formula R5P.
D010758	Phosphorus	A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions.	Black Phosphorus,Phosphorus-31,Red Phosphorus,White Phosphorus,Yellow Phosphorus,Phosphorus 31,Phosphorus, Black,Phosphorus, Red,Phosphorus, White,Phosphorus, Yellow
D003627	Data Interpretation, Statistical	Application of statistical procedures to analyze specific observed or assumed facts from a particular study.	Data Analysis, Statistical,Data Interpretations, Statistical,Interpretation, Statistical Data,Statistical Data Analysis,Statistical Data Interpretation,Analyses, Statistical Data,Analysis, Statistical Data,Data Analyses, Statistical,Interpretations, Statistical Data,Statistical Data Analyses,Statistical Data Interpretations
D015394	Molecular Structure	The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type and location of covalent bonds.	Structure, Molecular,Molecular Structures,Structures, Molecular