Coordination geometry determination of stannane compounds with phosphinoyldithioformate ligands using multinuclear NMR, Sn Mössbauer and DFT methods

Ólafsson, Sigurjon N.; Björnsson, Ragnar; Helgason, Örn; Jónsdóttir, Sigríður; Suman, Sigridur G.

doi:10.1016/j.jorganchem.2016.10.032

Cited by 7 publications

(4 citation statements)

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“…Phosphinocarbodithioates (Figure a) have been widely used as ambidentate ligands in coordination chemistry to bind lead(IV), , mercury(II), tin(IV), and iron(II) via the S atom or to niobium(II) and tungsten(II) via the P atom. The phosphacarbodithioate structural motif often acts as a bidentate ligand in complexes with ruthenium and iron that mimic certain biological systems.…”

Section: Introductionmentioning

confidence: 99%

Synthesis of S-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives

et al. 2019

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Compound 9 is the first example of carbodithioate ester with a P=Se group and for the first time a phosphinocarboditioate with a free phosphine function (compound 10) is described. Stabilization of the latter crucially depends on the steric protection by the t-Bu groups, since an analogous derivative with R = Ph is observable but too unstable for isolation. Compound 10 can be reversibly protonated to yield the [t-Bu2PHC(S)SCH(Me)Ph] + cation (10-H +), which was isolated as a BF4salt. A few interconversion processes resulting in the facile addition/removal or exchange of the X group in this family of compounds are also described. The phosphorus atom oxidation state and the nature of electron-withdrawing group have a significant impact on the spectral properties.

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Section: Introductionmentioning

confidence: 99%

Synthesis of S-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives

et al. 2019

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“…We have used IR spectroscopy to find the coordination modes of the tin( iv ) complexes because the ligand is well known to bind to Sn or Pb metals in a monodentate fashion or chelate mode via bidentate ( S , O ) or ( S , S ) fashion. 45 The IR spectra of Sn-DBPTF-1 and Sn-DBPTF-2 (Fig. S1–S3, see ESI†) exhibit all the expected absorptions, which was compared with the potassium salt of phosphinoyldithioformate ligand.…”

Section: Resultsmentioning

confidence: 98%

“…S1-S3, see ESI †) exhibit all the expected absorptions, which was compared with the potassium salt of phosphinoyldithioformate ligand. 45,46 The coordination shift of ῡ(PvO) to lower wavenumbers (75-115 cm −1 ) indicate bidendate (S,O) coordination and the negative coordination shifts of ῡ(PvO) to higher wavenumbers indicate monodendate or (S,S) bidendate coordination. 45 In Sn-DBPTF-1 and Sn-DBPTF-2, the difference in ῡ(PvO) compared to the ligand was 77.18 and 109.53 cm −1 , respectively indicating bidentate (S,O) coordination (Table S1 see ESI †).…”

Section: Resultsmentioning

confidence: 99%

Cytotoxic effects of halogenated tin phosphinoyldithioformate complexes against several cancer cell lines

et al. 2022

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“…For these reasons, NMR spectroscopy is highly sought after in drug development [ 37 , 38 , 39 , 40 , 41 ], for both molecule identification [ 11 , 13 , 14 , 18 , 42 , 43 , 44 , 45 , 46 ] and structural elucidation [ 15 , 16 , 17 , 45 , 47 , 48 , 49 , 50 , 51 ]. NMR has been successfully applied in stereochemistry [ 52 , 53 , 54 , 55 , 56 ] and isomer determination [ 57 , 58 , 59 , 60 , 61 ], in drug-protein interactions studies [ 62 , 63 , 64 ], and in the evaluation of drug toxicity [ 65 , 66 , 67 , 68 ].…”

Section: Introductionmentioning

confidence: 99%

NMR as a “Gold Standard” Method in Drug Design and Discovery

et al. 2020

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Studying disease models at the molecular level is vital for drug development in order to improve treatment and prevent a wide range of human pathologies. Microbial infections are still a major challenge because pathogens rapidly and continually evolve developing drug resistance. Cancer cells also change genetically, and current therapeutic techniques may be (or may become) ineffective in many cases. The pathology of many neurological diseases remains an enigma, and the exact etiology and underlying mechanisms are still largely unknown. Viral infections spread and develop much more quickly than does the corresponding research needed to prevent and combat these infections; the present and most relevant outbreak of SARS-CoV-2, which originated in Wuhan, China, illustrates the critical and immediate need to improve drug design and development techniques. Modern day drug discovery is a time-consuming, expensive process. Each new drug takes in excess of 10 years to develop and costs on average more than a billion US dollars. This demonstrates the need of a complete redesign or novel strategies. Nuclear Magnetic Resonance (NMR) has played a critical role in drug discovery ever since its introduction several decades ago. In just three decades, NMR has become a “gold standard” platform technology in medical and pharmacology studies. In this review, we present the major applications of NMR spectroscopy in medical drug discovery and development. The basic concepts, theories, and applications of the most commonly used NMR techniques are presented. We also summarize the advantages and limitations of the primary NMR methods in drug development.

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Coordination geometry determination of stannane compounds with phosphinoyldithioformate ligands using multinuclear NMR, Sn Mössbauer and DFT methods

Cited by 7 publications

References 59 publications

Synthesis of S-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives

Synthesis of S-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives

Cytotoxic effects of halogenated tin phosphinoyldithioformate complexes against several cancer cell lines

NMR as a “Gold Standard” Method in Drug Design and Discovery

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