1H-{125Te} indirect detection in nuclear magnetic resonance spectra of organotellurium compounds

Schroeder, Thomas B. H.; Job, Constantin; Brown, Michael F.; Glass, Richard S.; You, Niannian; Block, Eric

doi:10.1002/(sici)1097-458x(199711)35:11<752::aid-omr167>3.0.co;2-v

Cited by 20 publications

(7 citation statements)

References 5 publications

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“…In the case of 2 Se (C 6 F 5 ) , a triplet of nonets is observed as a result of the additional 4 J SeF coupling (Figure b). The 31 P{ 1 H} NMR spectra of the tellane derivatives ( 2 Te (Mes) , 2 Te (N( i Pr) 2 ) ) display two sets of satellites due to the two 123 Te and 125 Te isotopologues ( 123 Te: spin 1 / 2 , natural isotopic abundance 0.9%; 125 Te: spin 1 / 2 , natural isotopic abundance 7.1%; e.g., 2 Te (Mes) : 1 J PTe(123) = 344 Hz, 1 J PTe(125) = 413 Hz; Figure c). The 125 Te NMR spectrum of 2 Te (Mes) shows a triplet resonance as a result of the 1 J Te(125)P coupling (Figure d).…”

Section: Resultsmentioning

confidence: 99%

Condensation Reactions of Chlorophosphanes with Chalcogenides

et al. 2016

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A high-yielding and facile synthesis for diphosphane monochalcogenides (1(Ch)((R))) and their constitutional isomers, diphosphanylchalcoganes (2(Ch)((R))), was developed, featuring a condensation reaction between chlorophosphanes (R2PCl) and sodium chalcogenides (Na2Ch, Ch = S, Se, (Te)). The optimized protocol selectively yields either 1(Ch)((R)) (R2(Ch)PPR2) or 2(Ch)((R)) (Ch(PR2)2) depending upon the steric demand of the substituents R. Reaction pathways consistent with the distinct reaction outcomes are proposed. The application of 1(Ch)((R)) and 2(Ch)((R)) as an interesting class of ligands is exemplarily demonstrated by the preparation of selected transition metal complexes.

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Section: Resultsmentioning

confidence: 99%

Condensation Reactions of Chlorophosphanes with Chalcogenides

et al. 2016

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“…These values are more similar to the 125 Te chemical shi for tellurophene (d 775.1 ppm). 18 While in case of 77 Se NMR of porphyrinogen 5b, 5d and 5h, it showed upeld as compared to corresponding tellurophene porphyrinogens and exhibited 77 Se NMR signal at d 601.02, 596.16 and 593.75 ppm respectively. Suitable crystal of 5g for single-crystal X-ray diffraction was obtained as shown in Fig.…”

Section: Introductionmentioning

confidence: 91%

Synthesis of 5,10,15,20-meso-unsubstituted and 5,10,15,20-meso-substituted-21,23-ditellura/diselena core-modified porphyrinogens: oxidation and detection of mercury(ii)

et al. 2014

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Tellurium and selenium incorporated 5,10,15,20-meso-unsubstituted-21,23-ditellura/diselena coremodified porphyrinogens (N 2 Te 2 and N 2 Se 2 ), 5,10,15,20-meso-unsubstituted-21-tellura/selena coremodified porphyrinogens (N 3 Te and N 3 Se) and fully substituted meso-carbons porphyrinogens (N 2 Te 2 , N 2 Se 2 and higher analogs) are synthesized by 3 + 1 condensation of tellurophene/ selenophene dipyrranes and their corresponding diols in the presence of BF 3 -etharate or BF 3methanol. The meso-unsubstituted and substituted porphyrinogens were oxidized with chloranil/0.1% aqueous FeCl 3 in CHCl 3 at room temperature to obtain the corresponding porphines and porphyrins which are further reduced to corresponding chlorin and bacteriochlorin, whereas the fully mesosubstituted porphyrinogens were found to be good ligands for Hg 2+ . The structures of the products were characterized by IR, 1 H, 13 C, 125 Te, 77 Se NMR, CHN analysis, mass spectrometry and singlecrystal XRD.

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“… a 125 Te NMR chemical shifts (in ppm), given in parentheses, are taken from different sources: 1 , 2 ; 3 ; 4–8 , 12 , 15–18 ; 9 ; 10 ; 11 ; 13 ; 14 ; 19 …”

Section: Resultsmentioning

confidence: 99%

What Most Affects the Accuracy of ¹²⁵Te NMR Chemical Shift Calculations

Rusakov

Rusakova

2020

J. Phys. Chem. A

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An accurate quantum chemical modeling of 125Te NMR spectra is of great importance in the NMR structural assignment for real-life tellurium compounds, which represent a growing interest in organic and inorganic chemistry nowadays. This work reports a computationally modest combined approach based on the density functional theory only, which provides an excellent accuracy against the experiment and can be effectively applied for the routine large-scale calculations of tellurium chemical shifts. The role of solvent, vibrational, and relativistic corrections has been thoroughly investigated. Special attention was paid to the effect of taking into account the scalar relativistic effects during the geometry optimizations on the calculated tellurium chemical shifts.

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1H-{125Te} indirect detection in nuclear magnetic resonance spectra of organotellurium compounds

Cited by 20 publications

References 5 publications

Condensation Reactions of Chlorophosphanes with Chalcogenides

Condensation Reactions of Chlorophosphanes with Chalcogenides

Synthesis of 5,10,15,20-meso-unsubstituted and 5,10,15,20-meso-substituted-21,23-ditellura/diselena core-modified porphyrinogens: oxidation and detection of mercury(ii)

What Most Affects the Accuracy of ¹²⁵Te NMR Chemical Shift Calculations

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1H-{125Te} indirect detection in nuclear magnetic resonance spectra of organotellurium compounds

Cited by 20 publications

References 5 publications

Condensation Reactions of Chlorophosphanes with Chalcogenides

Condensation Reactions of Chlorophosphanes with Chalcogenides

Synthesis of 5,10,15,20-meso-unsubstituted and 5,10,15,20-meso-substituted-21,23-ditellura/diselena core-modified porphyrinogens: oxidation and detection of mercury(ii)

What Most Affects the Accuracy of 125Te NMR Chemical Shift Calculations

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What Most Affects the Accuracy of ¹²⁵Te NMR Chemical Shift Calculations