Subtopic Deep Dive
Structural Studies of Organotin Supramolecular Assemblies
Research Guide
What is Structural Studies of Organotin Supramolecular Assemblies?
Structural studies of organotin supramolecular assemblies investigate the molecular architectures of tin-containing coordination polymers, cages, and clusters using X-ray crystallography, NMR, and IR spectroscopy to reveal self-assembly driven by intermolecular interactions.
Research focuses on synthesizing di- and triorganotin complexes with ligands like meso-2,3-dimercaptosuccinic acid, thiobarbituric acid, and Schiff bases, determining their crystal structures. Key papers include Ma and Zhang (2006, 16 citations) on supramolecular assemblies with dimercaptosuccinic acid and Balas et al. (2008, 37 citations) on zwitterionic tri-n-butyltin(IV) complexes. Over 10 papers from 2005-2024 document structures with ~200 total citations.
Why It Matters
Structural insights enable design of organotin assemblies for catalysis, sensing, and antitumor agents, as shown in Balas et al. (2008) where tri-n-butyltin(IV) with 2-thiobarbituric acid exhibits antitumor activity confirmed by X-ray structure. Ma and Zhang (2006) assemblies with dimercaptosuccinic acid highlight potential in functional materials via Sn-S and Sn-O coordination. Basu Baul et al. (2020) diorganotin Schiff base complexes demonstrate H2S sensing applications from supramolecular motifs.
Key Research Challenges
Resolving Flexible Structures
Supramolecular tin assemblies often feature dynamic coordination geometries distorted from ideal tetrahedra, complicating X-ray refinement. Balas et al. (2008) addressed zwitterionic [(n-Bu)3Sn(TBA)·H2O] distortions via 119Sn-NMR and FT-IR. Ma and Zhang (2006) noted variable R-group effects on [(R3Sn)4(dmsa)] packing.
Intermolecular Interaction Mapping
Quantifying weak Sn···O/S hydrogen bonds and π-stacking driving self-assembly requires Hirshfeld surface analysis. Haezam et al. (2019) applied this to (N,N-diisopropyldithiocarbamato)triphenyltin(IV). Basu Baul et al. (2020) used DFT to model interactions in bicycloazastannoxides.
Ligand Design for Stability
Synthesizing stable organotin cages with hybrid thiosemicarbazone/hydrazone ligands faces hydrolysis risks. Blázquez-Tapias et al. (2024) overcame this in new Sn(IV) complexes with antiproliferative activity. Jurkschat et al. (2020) tuned α-aminoacidato Schiff bases for H2S sensing.
Essential Papers
Metal complexes with Schiff-base ligands - pyridoxal and semicarbazide-based derivatives
Vukadin M. Leovac, Violeta Jevtović, Ljiljana S. Jovanović et al. · 2005 · Journal of the Serbian Chemical Society · 58 citations
The most important results of extensive studies (syntheses, spectral, magnetic, voltammetric and structural characteristics and biological activity) of metal complexes with pyridoxal semi-, thiosem...
Synthesis, DFT Calculation, and Antimicrobial Studies of Novel Zn(II), Co(II), Cu(II), and Mn(II) Heteroleptic Complexes Containing Benzoylacetone and Dithiocarbamate
Anthony C. Ekennia, Damian C. Onwudiwe, Lukman O. Olasunkanmi et al. · 2015 · Bioinorganic Chemistry and Applications · 49 citations
Heteroleptic complexes of zinc(II), copper(II), manganese(II), and cobalt(II) of the types [MLL′(H 2 O) 2 ]· n H 2 O and [MLL′]· n H 2 O have been synthesized using sodium N -methyl- N -phenyldithi...
Crystal Structure and Antitumor Activity of the Novel Zwitterionic Complex of tri‐<i>n</i>‐Butyltin(IV) with 2‐Thiobarbituric Acid
Vasilios Ι. Balas, S.K. Hadjikakou, Nick Hadjiliadis et al. · 2008 · Bioinorganic Chemistry and Applications · 37 citations
A novel tri‐ n ‐butyl(IV) derivative of 2‐thiobarbituric acid (HTBA) of formula [( n ‐Bu) 3 Sn(TBA) · H 2 O] (1) has been synthesized and characterized by elemental analysis and 119 Sn‐NMR and FT‐I...
The structural chemistry of zinc(ii) and nickel(ii) dithiocarbamate complexes
Tanzimjahan A. Saiyed, Jerry O. Adeyemi, Damian C. Onwudiwe · 2021 · Open Chemistry · 27 citations
Abstract Dithiocarbamate complexes are of immense interest due to their diverse structural properties and extensive application in various areas. They possess two sulfur atoms that often act as the...
Diorganotin Compounds Containing α‐Aminoacidato Schiff Base Ligands Derived from Functionalized 2‐Hydroxy‐5‐(aryldiazenyl)benzaldehyde. Syntheses, Structures and Sensing of Hydrogen Sulfide
Tushar S. Basu Baul, Anurag Chaurasiya, Monosh Rabha et al. · 2020 · European Journal of Inorganic Chemistry · 17 citations
Three novel bicycloazastannoxides, namely, [ n Bu 2 Sn(L 1 )] ( 1 ), [ n Bu 2 Sn(L 2 )] ( 2 ) and [Bz 2 Sn(L 3 )] ( 3 ) were synthesized in one pot procedures by reacting diorganotin(IV) precursors...
A Supramolecular Assembly of Organotin Complexes: Syntheses, Characterization and Crystal Structures of Organotin Complexes with <i>meso</i>‐2,3‐Dimercaptosuccinic Acid
Chunlin Ma, Qingfu Zhang · 2006 · European Journal of Inorganic Chemistry · 16 citations
Abstract A series of two types of organotin complexes, namely [(R 3 Sn) 4 (dmsa)] (R = Ph 1 , PhCH 2 2 , CH 3 3 , n Bu 4 ; H 4 dmsa = meso ‐2,3‐dimercaptosuccinic acid) and [(R 2 Sn) 2 (dmsa)(Y)] ·...
(<i>N</i>,<i>N</i>-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study
Farah Natasha Haezam, Normah Awang, Nurul Farahana Kamaludin et al. · 2019 · Acta Crystallographica Section E Crystallographic Communications · 9 citations
The crystal and molecular structures of the title triorganotin dithiocarbamate, [Sn(C 6 H 5 ) 3 (C 7 H 14 NS 2 )], are described. The molecular geometry about the metal atom is highly distorted bei...
Reading Guide
Foundational Papers
Start with Ma and Zhang (2006) for diverse [(R3Sn)4(dmsa)] assemblies establishing Sn-S supramolecular motifs; Balas et al. (2008) for zwitterionic Sn-TBA crystal with bioactivity correlation.
Recent Advances
Basu Baul et al. (2020) for diorganotin Schiff bases with H2S sensing; Haezam et al. (2019) for dithiocarbamate Hirshfeld analysis; Blázquez-Tapias et al. (2024) hybrid ligand antiproliferative Sn complexes.
Core Methods
X-ray crystallography for atomic structures (R-factor refinement), 119Sn-NMR/FT-IR for solution/solid validation, DFT for bonding, Hirshfeld surfaces for intermolecular contacts.
How PapersFlow Helps You Research Structural Studies of Organotin Supramolecular Assemblies
Discover & Search
Research Agent uses searchPapers('organotin supramolecular assemblies X-ray') to retrieve Ma and Zhang (2006), then citationGraph reveals Balas et al. (2008) as highly cited; findSimilarPapers on Basu Baul et al. (2020) uncovers Haezam et al. (2019) dithiocarbamate structures; exaSearch('Sn-S coordination polymers') expands to 50+ related hits.
Analyze & Verify
Analysis Agent employs readPaperContent on Ma and Zhang (2006) to extract [(R3Sn)4(dmsa)] coordinates, verifyResponse with CoVe checks Sn···S distances against DFT norms, and runPythonAnalysis parses 119Sn-NMR shifts from Balas et al. (2008) into pandas for chemical shift correlation; GRADE assigns A-grade evidence to X-ray structures with R<0.05.
Synthesize & Write
Synthesis Agent detects gaps like missing H2S-sensing motifs post-Basu Baul et al. (2020), flags contradictions in Sn coordination numbers; Writing Agent uses latexEditText for structure revisions, latexSyncCitations integrates 10 papers, latexCompile generates report, exportMermaid diagrams Hirshfeld surfaces from Haezam et al. (2019).
Use Cases
"Extract 119Sn-NMR data from organotin supramolecular papers and plot chemical shift vs coordination number"
Research Agent → searchPapers → Analysis Agent → readPaperContent (Balas 2008, Ma 2006) → runPythonAnalysis (pandas plot) → matplotlib figure of δ(119Sn) vs CN(Sn).
"Write LaTeX section on dimercaptosuccinic acid tin assemblies with citations and structure diagram"
Synthesis Agent → gap detection → Writing Agent → latexEditText (text) → latexSyncCitations (Ma 2006) → latexCompile → exportMermaid (assembly ladder diagram).
"Find GitHub repos implementing DFT on organotin Hirshfeld analysis"
Research Agent → paperExtractUrls (Haezam 2019) → paperFindGithubRepo → githubRepoInspect → returns CrystalExplorer scripts for Sn···S surface mapping.
Automated Workflows
Deep Research workflow scans 50+ papers via searchPapers → citationGraph on Ma (2006), outputs structured report with Sn coordination statistics. DeepScan applies 7-step CoVe to verify supramolecular motifs in Basu Baul (2020), checkpoint-grading X-ray data. Theorizer generates hypotheses on ligand tuning for stable Sn cages from Blázquez-Tapias (2024) patterns.
Frequently Asked Questions
What defines organotin supramolecular assemblies?
Self-assembled structures like coordination polymers and clusters formed by di-/triorganotin(IV) units with ligands via Sn-O/S/N bonds, studied by X-ray crystallography (Ma and Zhang, 2006).
What methods characterize these structures?
X-ray diffraction determines geometries, 119Sn-NMR measures coordination shifts, FT-IR confirms Sn-ligand modes, DFT/Hirshfeld map interactions (Balas et al., 2008; Haezam et al., 2019).
What are key papers?
Foundational: Ma and Zhang (2006, 16 cites) on dimercaptosuccinic assemblies; Balas et al. (2008, 37 cites) on antitumor Sn-TBA. Recent: Basu Baul et al. (2020, 17 cites) Schiff base sensors.
What open problems exist?
Predicting assembly from R-groups, stabilizing flexible Sn geometries in solution, scaling to porous materials for catalysis/sensing beyond lab crystals (Basu Baul et al., 2020).
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