Relationships of nuclear magnetic resonance parameters to structure for cyclotriphosphazatrienes

Clare, Philip; Sowerby, D. Bryan; Harris, Robin K.; Wazeer, Mohamed I. M.

doi:10.1039/dt9750000625

Cited by 5 publications

(2 citation statements)

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“…This very low sensitivity is reflected by a roughly six times larger standard deviation value obtained for 2 J(F,F) compared with those for the other parameters. However, the 2 J(F,F) values obtained by iteration are very close to the expected value 46 and the corresponding parameter vectors provide the best agreement between the experimental and calculated spectra.…”

Section: Iterative Fittingsupporting

confidence: 54%

“…8 The remaining parameters also have the expected sign and lie in the usual range for fluorinated cyclophosphazenes. 8,46 It should be noted that the final shapes of the NMR spectra of HFCTP are very sensitive to small changes in any coupling constant except of 2 J(F,F), which was confirmed by trialand-error simulations. The influence of changing the 2 J(F,F) value on the final shape of the 31 P spectrum is illustrated in Fig.…”

Section: Iterative Fittingmentioning

confidence: 56%

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Analysis and calculation of the ³¹P and ¹⁹F NMR spectra of hexafluorocyclotriphosphazene

Kapička

Dastych

Richterová

et al. 2005

Magnetic Reson in Chemistry

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The higher order high-resolution (31)P and (19)F NMR spectra of hexafluorocyclotriphosphazene (F(2)PN)(3) were measured at 183 K and interpreted using subspectral analysis and iterative fitting computation. (F(2)PN)(3) forms a rigid nine-spin system [A[X](2)](3) with D(3h) symmetry. Two complete and very similar sets of six experimental spin-spin coupling constants, (1)J(P,F), (2)J(P,P), (2)J(F,F), (3)J(P,F), (4)J(F,F)(cis) and (4)J(F,F)(trans), were determined for the first time. Theoretical DFT calculations of chemical shifts and coupling constants were performed to assess their predictive value. The PP/aug-cc-pVDZ treatment rendered the best agreement with experimental data.

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Section: Iterative Fittingsupporting

confidence: 54%

Section: Iterative Fittingmentioning

confidence: 56%

Analysis and calculation of the ³¹P and ¹⁹F NMR spectra of hexafluorocyclotriphosphazene

Kapička

Dastych

Richterová

et al. 2005

Magnetic Reson in Chemistry

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ChemInform Abstract: RELATIONSHIPS OF NUCLEAR MAGNETIC RESONANCE PARAMETERS TO STRUCTURE FOR CYCLOTRIPHOSPHAZATRIENES

Clare¹,

Sowerby²,

Harris³

et al. 1975

Chemischer Informationsdienst

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Derivatives of cis‐NPCl₂(NSOCl)₂ and (NPCl₂)₂NSOCl. Part VII. Isothiocyanato derivatives of (NPCl₂)₂NSOF, (NPCl₂)₂NSOPh and trans‐NPCl₂(NSOPh)₂

Klei

Grampel

1978

Recl. Trav. Chim. Pays‐Bas

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Some isothiocyanato derivatives of (NPCl2)2NSOF, (NPCl2)2NSOPh and trans‐NPCl2‐(NSOPh)2 are prepared by reaction of these compounds with KSCN. The fully substituted derivatives are white crystalline solids, whereas NPCl2NP(NCS)2NSOF is a colourless liquid at room temperature. The mono‐isothiocyanato derivatives NPCl2NPClNCSNSOF and NPCl2NPClNCSNSOPh consist of mixtures (∼ 1:1) of two isomers. It is shown that substitution by NCS groups proceeds via a geminal pathway. The compounds are characterized by spectroscopic methods.

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Relationships of nuclear magnetic resonance parameters to structure for cyclotriphosphazatrienes

Cited by 5 publications

References 0 publications

Analysis and calculation of the ³¹P and ¹⁹F NMR spectra of hexafluorocyclotriphosphazene

Analysis and calculation of the ³¹P and ¹⁹F NMR spectra of hexafluorocyclotriphosphazene

ChemInform Abstract: RELATIONSHIPS OF NUCLEAR MAGNETIC RESONANCE PARAMETERS TO STRUCTURE FOR CYCLOTRIPHOSPHAZATRIENES

Derivatives of cis‐NPCl₂(NSOCl)₂ and (NPCl₂)₂NSOCl. Part VII. Isothiocyanato derivatives of (NPCl₂)₂NSOF, (NPCl₂)₂NSOPh and trans‐NPCl₂(NSOPh)₂

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Relationships of nuclear magnetic resonance parameters to structure for cyclotriphosphazatrienes

Cited by 5 publications

References 0 publications

Analysis and calculation of the 31P and 19F NMR spectra of hexafluorocyclotriphosphazene

Analysis and calculation of the 31P and 19F NMR spectra of hexafluorocyclotriphosphazene

ChemInform Abstract: RELATIONSHIPS OF NUCLEAR MAGNETIC RESONANCE PARAMETERS TO STRUCTURE FOR CYCLOTRIPHOSPHAZATRIENES

Derivatives of cis‐NPCl2(NSOCl)2 and (NPCl2)2NSOCl. Part VII. Isothiocyanato derivatives of (NPCl2)2NSOF, (NPCl2)2NSOPh and trans‐NPCl2(NSOPh)2

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Analysis and calculation of the ³¹P and ¹⁹F NMR spectra of hexafluorocyclotriphosphazene

Analysis and calculation of the ³¹P and ¹⁹F NMR spectra of hexafluorocyclotriphosphazene

Derivatives of cis‐NPCl₂(NSOCl)₂ and (NPCl₂)₂NSOCl. Part VII. Isothiocyanato derivatives of (NPCl₂)₂NSOF, (NPCl₂)₂NSOPh and trans‐NPCl₂(NSOPh)₂