Application of 119Sn NMR Parameters

Wrackmeyer, Bernd

doi:10.1016/s0066-4103(08)60038-1

Cited by 233 publications

(214 citation statements)

References 452 publications

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“…Although we could not isolate [R 2 SnCl 2 (cis-dppen)] complexes, their presence are indicated as low intensity signals in 1 H, 31 P ($À21.5 ppm at 300 K) and 119 Sn ($À485 ppm at 200 K). The latter signals assignable to tin in an octahedral environment occur considerably upfield to the 119 Sn shifts, 6.0, À6.1 and À65 ppm reported previously for MeSnCl 3 , n BuSnCl 3 and PhSnCl 3 , respectively [29].…”

Section: IIsupporting

confidence: 63%

Synthesis of monoorganotin(IV) chloride complexes of cis-1,2-bis(diphenylphosphino)ethylene: Solution and solid state structures

Mothi

Stœckli-Evans

Panchanatheswaran

2007

Journal of Organometallic Chemistry

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Organotin(IV) complexes of the type [RSnCl 3 (cis-Ph 2 PCH@CHPPh 2 )] [R = Me (1), n Bu (2), Ph (3)] were prepared by the reaction of RSnCl 3 with the rigid bisphosphine ligand, cis-1,2-bis(diphenylphosphino)ethylene in dichloromethane. The complexes have been characterized both in solution and the solid state. Low temperature 31 P and 119 Sn NMR studies indicate two different phosphorus environments. The crystal structures indicate a weak but chelating mode of coordination of the two phosphorus atoms to tin, leading to a distorted octahedral geometry. In solution the complexes 1-3 undergo a redistribution reaction to form [SnCl 4 (cis-Ph 2 PCH@CHPPh 2 )] (4) as one of the products. In order to confirm the redistribution, complex 4 has been prepared separately and characterized both structurally and spectrally.

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Section: IIsupporting

confidence: 63%

Synthesis of monoorganotin(IV) chloride complexes of cis-1,2-bis(diphenylphosphino)ethylene: Solution and solid state structures

Mothi

Stœckli-Evans

Panchanatheswaran

2007

Journal of Organometallic Chemistry

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“…Bern Wrackmeyer published a serie of review articles with a large amount of chemical shifts data for Sn and Pb containing compounds. [18][19][20][21] Based on experimental measurements a linear relationship between the chemical shift of Sn(IV) and Pb(IV) for comparable tin and lead compounds were proposed. 16,22 We should emphasis here that tin chemical shifts cover a range of approximately 6500 ppm, from +4000 to −2500 ppm, using tetramethyltin (Sn(CH 3 ) 4 ) as a reference and 207 Pb chemical shift cover a range of approximately 17000 ppm, from +11000 to −6000 ppm with tetramethyllead, Pb(CH 3 ) 4 , as a reference.…”

mentioning

confidence: 99%

Relativistic and Electron-Correlation Effects on the Nuclear Magnetic Resonance Shieldings of Molecules Containing Tin and Lead Atoms

Maldonado

Aucar

2014

J. Phys. Chem. A

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The reference values for NMR magnetic shieldings, σ ref , are of highest importance when theoretical analysis of chemical shifts are envisaged. The fact that the non relativistically valid relationship among spin-rotation constants and magnetic shieldings is not any longer valid for heavy atoms makes that the search for σ ref for such atoms needs new strategies to follow.We present here results of σ ref that were obtained applying an own simple procedure which mix accurate experimental chemical shifts (δ) and theoretical magnetic shieldings (σ). We calculated σ(Sn) and σ(Pb) in a family of heavy-halogen containing molecules.We found out that σ ref (Sn; Sn(CH 3 ) 4 ) in gas phase should be close to 3864.11 ± We studied tin and lead shieldings of the XY 4−n Z n (X = Sn, Pb; Y , Z = H, F, Cl, Br, I) and PbH 4−n I n (n = 0, 1, 2, 3, 4) family of compounds with four-component functionals as implemented in the DIRAC code. For these systems results of calculations with RelPPA-RPA are more reliable than the DFT ones. We argue on why those DFT functionals must be modified in order to obtain more accurate results of NMR magnetic shieldings within the relativistic regime: first, there is a dependence among both, electron correlation and relativistic effects that should be introduced in some way in the functionals; and second, the DIRAC code uses standard non-relativistic functionals and the functionals B3LYP and PBE0 were parameterized only with data taken from light elements. It can explain why they are not able to properly introduce relativistic effects on nuclear magnetic shieldings.We finally show that in the analysis of magnetic shieldings for the family of compounds mentioned above, one must consider the newest and so called heavy-atom effect on vicinal heavy atoms, HAVHA. Such effects are among the most important relativistic effects in these kind of compounds.

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“…[4,17] This behavior was expected on the basis of the different coordinating properties of the two solvents and indicates the occurrence of tin-solvent exchange equilibria. For 2, the appearance of the second resonance in DMSO-d 6 (at −298 ppm) attributable to a hexa-coordinated dimethyltin(IV) species [36,37] also points to the occurrence of self-association processes, as already advanced in the case of 4. [17] 1 H and 13 …”

Section: Sn{ 1 H} Nmr Spectramentioning

confidence: 65%

“…[36,37] In DMSO-d 6 1 presents a single resonance at −96 ppm (LW = 650 Hz) while 2 shows two signals at −107 ppm (LW = 140 Hz) and at −298 ppm (LW = 350 Hz). In DMSO-d 6 the signals for both complexes appear www.interscience.wiley.com/journal/aoc sharper than those in D 2 O showing a systematic increase of 119 Sn δ in accordance with what has been observed for similar systems.…”

Section: Sn{ 1 H} Nmr Spectramentioning

confidence: 99%

Synthesis and structural investigations on R₂ Sn(IV)‐D‐aldonic acid complexes (R = methyl; butyl). Their effect on a new toxicity test organism, Liza saliens (Osteichthyes, Mugilidae): a histological study

Bertazzi

Casella

D'Agati

et al. 2008

Applied Organom Chemis

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Application of 119Sn NMR Parameters

Cited by 233 publications

References 452 publications

Synthesis of monoorganotin(IV) chloride complexes of cis-1,2-bis(diphenylphosphino)ethylene: Solution and solid state structures

Synthesis of monoorganotin(IV) chloride complexes of cis-1,2-bis(diphenylphosphino)ethylene: Solution and solid state structures

Relativistic and Electron-Correlation Effects on the Nuclear Magnetic Resonance Shieldings of Molecules Containing Tin and Lead Atoms

Synthesis and structural investigations on R₂ Sn(IV)‐D‐aldonic acid complexes (R = methyl; butyl). Their effect on a new toxicity test organism, Liza saliens (Osteichthyes, Mugilidae): a histological study

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Application of 119Sn NMR Parameters

Cited by 233 publications

References 452 publications

Synthesis of monoorganotin(IV) chloride complexes of cis-1,2-bis(diphenylphosphino)ethylene: Solution and solid state structures

Synthesis of monoorganotin(IV) chloride complexes of cis-1,2-bis(diphenylphosphino)ethylene: Solution and solid state structures

Relativistic and Electron-Correlation Effects on the Nuclear Magnetic Resonance Shieldings of Molecules Containing Tin and Lead Atoms

Synthesis and structural investigations on R2 Sn(IV)‐D‐aldonic acid complexes (R = methyl; butyl). Their effect on a new toxicity test organism, Liza saliens (Osteichthyes, Mugilidae): a histological study

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Synthesis and structural investigations on R₂ Sn(IV)‐D‐aldonic acid complexes (R = methyl; butyl). Their effect on a new toxicity test organism, Liza saliens (Osteichthyes, Mugilidae): a histological study