Solid-state NMR studies of some tin(II) compounds

Amornsakchai, Pornsawan; Apperley, David C.; Harris, Robin K.; Hodgkinson, Paul; Waterfield, Philip C.

doi:10.1016/j.ssnmr.2004.03.010

Cited by 24 publications

(28 citation statements)

References 43 publications

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“…[1][2][3] Experimental 119 Sn NMR parameters 3-7 depend on the local co-ordination geometry and share important similarities with those of 207 Pb. 5,6,13 In contrast, tin(IV) species generally exhibit holodirected co-ordination chemistry 11,14,15 with spans under 400 ppm. 5,6,13 In contrast, tin(IV) species generally exhibit holodirected co-ordination chemistry 11,14,15 with spans under 400 ppm.…”

Section: Introductionmentioning

confidence: 99%

Spin–orbit effects on the ¹¹⁹Sn magnetic-shielding tensor in solids: a ZORA/DFT investigation

Alkan

Holmes

Iuliucci

et al. 2016

Phys. Chem. Chem. Phys.

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Periodic-boundary and cluster calculations of the magnetic-shielding tensors of (119)Sn sites in various co-ordination and stereochemical environments are reported. The results indicate a significant difference between the predicted NMR chemical shifts for tin(ii) sites that exhibit stereochemically-active lone pairs and tin(iv) sites that do not have stereochemically-active lone pairs. The predicted magnetic shieldings determined either with the cluster model treated with the ZORA/Scalar Hamiltonian or with the GIPAW formalism are dependent on the oxidation state and the co-ordination geometry of the tin atom. The inclusion of relativistic effects at the spin-orbit level removes systematic differences in computed magnetic-shielding parameters between tin sites of differing stereochemistries, and brings computed NMR shielding parameters into significant agreement with experimentally-determined chemical-shift principal values. Slight improvement in agreement with experiment is noted in calculations using hybrid exchange-correlation functionals.

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Section: Introductionmentioning

confidence: 99%

Spin–orbit effects on the ¹¹⁹Sn magnetic-shielding tensor in solids: a ZORA/DFT investigation

Alkan

Holmes

Iuliucci

et al. 2016

Phys. Chem. Chem. Phys.

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“…Here we demonstrate that a reliable NMR characterization of tin(II) fluoride is feasible by using fast MAS and efficient 19 F spin decoupling. The MAS spectra recorded under these conditions possess sufficient resolution to reveal the effects of indirect J-coupling.…”

Section: Introductionmentioning

confidence: 91%

“…Wiley-VCH ZAAC 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 The shortest distances for heteronuclear and homonuclear pairs of nuclei reported for the X-ray structure [1] As a third contribution to line broadening, J-couplings have to be taken into account for 119 Sn, since it has been documented previously [9][10][11][12][13][14][15][16][17][18][19][20][21] that they may also be of the order of kHz. In fact, the J-couplings for 119 Sn can be so large that it has been possible to determine the anisotropy of this interaction in some organo-tin compounds [14] by using off-magic angle spinning.…”

Section: Page 4 Of 20mentioning

confidence: 99%

“…2, the 119 Sn NMR spectra of α-SnF 2 at 25 kHz MAS are shown, acquired with and without application of spin-decoupling on 19 F, under otherwise identical conditions. It is obvious from Fig.…”

Section: Sn Mas-nmrmentioning

confidence: 99%

“…Unlike dipolar couplings, which act through space, J-couplings are mediated by covalent bonds, and are difficult to observe in solid-state NMR, because they are usually much smaller than dipolar couplings [6][7][8]. For 119 Sn however, J-couplings tend to be comparatively large (in the range of kHz), and have been reported before in the literature for a variety of compounds [9][10][11][12][13][14][15][16][17][18][19][20][21]. The existence of J-couplings in α-SnF 2 shown here is further evidence for the existence of covalent Sn-F bonds in tin(II) fluoride.…”

Section: Introductionmentioning

confidence: 99%

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Covalent Bonds in α‐SnF₂ Monitored by J‐Couplings in Solid‐State NMR Spectra

Bräuniger

Ghedia

Jansen

2010

Zeitschrift anorg allge chemie

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The stable ambient‐temperature phase of tin(II) fluoride, α‐SnF2, was studied by 19F and 119Sn magic‐angle spinning (MAS) NMR spectroscopy. A large chemical shift anisotropy (CSA) is observed in the spectra of both nuclides, which is indicative of the presence of stereochemically active lone electron pair on tin. Symmetric satellite lines with low intensity have been detected in the 119Sn MAS spectra acquired under 19F decoupling, and are assigned to indirect J‐couplings between the magnetically active tin isotopes. The detection of J‐couplings is evidence for the existence of genuine covalent bonds in α‐SnF2, a fact which was deduced before from X‐ray crystallography, which revealed the presence of Sn–F distances smaller than the sum of the respective ionic radii.

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Mixed Tin Valence in the Tin(II/IV)‐Nitridophosphate Sn₃P₈N₁₆

Ambach,

Koldemir,

Witthaut

et al. 2024

Chemistry A European J

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Sn3P8N16 combines the structural versatility of nitridophosphates and Sn within one compound. It was synthesized as dark gray powder in a high‐pressure high‐temperature reaction at 800 °C and 6 GPa from Sn3N4 and P3N5. The crystal structure was elucidated from single‐crystal diffraction data (space group C2/m (no. 12), a = 12.9664(4), b = 10.7886(4), c = 4.8238(2) Å, β = 109.624(1)°) and shows a 3D‐network of PN4 tetrahedra, incorporating Sn in oxidation states +II and +IV. The Sn cations are located within eight‐membered rings of vertex‐sharing PN4 tetrahedra, stacked along the [001] direction. A combination of solid‐state nuclear magnetic resonance spectroscopy, 119Sn Mössbauer spectroscopy and density functional theory calculations was used to confirm the mixed oxidation of Sn. Temperature‐dependent powder X‐ray diffraction measurements reveal a low thermal expansion of 3.6 ppm/K up to 750 °C, beyond which Sn3P8N16 starts to decompose.

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Solid-state NMR studies of some tin(II) compounds

Cited by 24 publications

References 43 publications

Spin–orbit effects on the ¹¹⁹Sn magnetic-shielding tensor in solids: a ZORA/DFT investigation

Spin–orbit effects on the ¹¹⁹Sn magnetic-shielding tensor in solids: a ZORA/DFT investigation

Covalent Bonds in α‐SnF₂ Monitored by J‐Couplings in Solid‐State NMR Spectra

Mixed Tin Valence in the Tin(II/IV)‐Nitridophosphate Sn₃P₈N₁₆

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Solid-state NMR studies of some tin(II) compounds

Cited by 24 publications

References 43 publications

Spin–orbit effects on the 119Sn magnetic-shielding tensor in solids: a ZORA/DFT investigation

Spin–orbit effects on the 119Sn magnetic-shielding tensor in solids: a ZORA/DFT investigation

Covalent Bonds in α‐SnF2 Monitored by J‐Couplings in Solid‐State NMR Spectra

Mixed Tin Valence in the Tin(II/IV)‐Nitridophosphate Sn3P8N16

Contact Info

Product

Resources

About

Spin–orbit effects on the ¹¹⁹Sn magnetic-shielding tensor in solids: a ZORA/DFT investigation

Spin–orbit effects on the ¹¹⁹Sn magnetic-shielding tensor in solids: a ZORA/DFT investigation

Covalent Bonds in α‐SnF₂ Monitored by J‐Couplings in Solid‐State NMR Spectra

Mixed Tin Valence in the Tin(II/IV)‐Nitridophosphate Sn₃P₈N₁₆