Evidences of the formation of a tin(IV) complex in citric–citrate buffer solution: A study based on voltammetric, FTIR and ab initio calculations

Bichara, Laura Cecilia; Bimbi, M.V. Fiori; Gervasi, C.A.; Álvarez, Patricia; Brandán, Silvia Antonia

doi:10.1016/j.molstruc.2011.11.032

Cited by 33 publications

(15 citation statements)

References 28 publications

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“…The first one is to select an appropriate wave function-based theory (WFT) methodology for the investigations of the intermolecular N → Sn coordination as it will be exemplified by (Me 3 SnCN) 2 . The overwhelming majority of current theoretical studies devoted to organotin(IV) compounds whose structures exhibit hypervalent Sn atoms [13][14][15] have been carried out using various density functional theory (DFT) methods [16]. The enormous popularity of DFT methods stems from the fact that these methods are capable of including a large fraction of electron correlation at an affordable computational cost and thus they are considered as the natural theory for systems with a large number of electrons and with strong electron correlation effects.…”

Section: Introductionmentioning

confidence: 99%

Theoretical investigation of the N → Sn coordination in (Me3SnCN)2

Matczak

2014

Struct Chem

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The N → Sn coordination occurring in the (Me 3 SnCN) 2 dimer has been investigated using various computational methods and several theoretical tools possessing great interpretative potential. The dimer is formed by moving the C≡N fragment of the first Me 3 SnCN molecule close to the Sn atom of the second molecule and the resulting N → Sn coordination corresponds to that observed in the crystal structure of trimethyltin cyanide. The geometry of (Me 3 SnCN) 2 is optimized using the MP2 method and its 11 variants, and then it is compared with the reference geometry obtained at the CCSD level of theory. SCS-MP2 reproduces best the reference geometry of (Me 3 SnCN) 2 and its accuracy is close to that of the MP4 (SDQ) method. Two families of basis sets, namely the correlation-consistent basis sets proposed by Dunning and co-workers and the 'def2' basis sets developed by Ahlrichs and co-workers, are taken into account and their effect on the geometry of the dimer is examined in detail. The intermolecular interaction in (Me 3 SnCN) 2 has been analyzed using SAPT, NBO, QTAIM, and ELF. The results indicate that the (Me 3 SnCN) 2 dimer possesses a weak N → Sn coordination bond whose character is predominantly ionic. A value of −7.64 kcal/mol is proposed to be the best estimate of the interaction energy between the Me 3 SnCN molecules in the dimer.

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Section: Introductionmentioning

confidence: 99%

Theoretical investigation of the N → Sn coordination in (Me3SnCN)2

Matczak

2014

Struct Chem

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“…If the citric acid-sodium citrate buffer solution was not employed in the preparation, nanocrystal agglomerates dominated over individually dispersed particles Figure S1 ha nd S1 i),r espectively.A ccording to ab initio calculations from previous studies, this tin(IV) citrate complex consists of ad istorted SnO 6 octahedron, in which two tridentate citrate ligandsa re coordinated to the central Sn atom in as patial conformation with C 2h symmetry. [27] Owing to this hexacoordination of the Sn atom in the [Sn(…”

Section: Resultsmentioning

confidence: 99%

Recycled Poly(vinyl alcohol) Sponge for Carbon Encapsulation of Size‐Tunable Tin Dioxide Nanocrystalline Composites

Tai

Gustafsson

et al. 2015

ChemSusChem

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The recycling of industrial materials could reduce their environmental impact and waste haulage fees and result in sustainable manufacturing. In this work, commercial poly(vinyl alcohol) (PVA) sponges are recycled into a macroporous carbon matrix to encapsulate size-tunable SnO2 nanocrystals as anode materials for lithium-ion batteries (LIBs) through a scalable, flash-combustion method. The hydroxyl groups present copiously in the recycled PVA sponges guarantee a uniform chemical coupling with a tin(IV) citrate complex through intermolecular hydrogen bonds. Then, a scalable, ultrafast combustion process (30 s) carbonizes the PVA sponge into a 3D carbon matrix. This PVA-sponge-derived carbon could not only buffer the volume fluctuations upon the Li-Sn alloying and dealloying processes but also afford a mixed conductive network, that is, a continuous carbon framework for electrical transport and macropores for facile electrolyte percolation. The best-performing electrode based on this composite delivers a rate performance up to 9.72 C (4 A g(-1) ) and long-term cyclability (500 cycles) for Li(+) ion storage. Moreover, cyclic voltammograms demonstrate the coexistence of alloying and dealloying processes and non-diffusion-controlled pseudocapacitive behavior, which collectively contribute to the high-rate Li(+) ion storage.

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“…The comparison of the particle sizes of holmium, erbium and lutetium citrates, (Table 9) with the crystal sizes (Table 7) indicates that the particles are crystal aggregates. 3451.47 3438.46 3427.37 3450.03 n O-H (water) 2938.02 2938.98 2940.43 nasym (CH2) (Bichara et al,2012) 1754.90 nasym (C=O) (Bichara et al,2011) 1705.25 nasym (C=O) (Bichara et al,2011) 1655 dtwist -twisting deformation, drocking -rocking deformation, dwagging -wagging deformation; dsciss -scissors deformation; nsym -symmetric stretching, nasym -asymmetric stretching, n -stretching, t -torsion…”

Section: Ftir Analysismentioning

confidence: 99%

Synthesis of citrates of selected lanthanides (Er, Ho and Lu)

Janusz¹,

Pikus²,

Skwarek³

et al. 2020

Physicochem. Probl. Miner. Process.

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Holmium, erbium and lutetium citrates can be synthesized by transforming freshly precipitated holmium, erbium and lutetium hydroxides in the citric acid solution under the hydrothermal conditions (above 100°C) after 3 days of reaction. In this paper in order to determine the synthesis conditions, the hydroxide and citrate stability areas of selected lanthanides were compared. The studies of the structure of the obtained holmium citrate, erbium and lutetium samples showed that these compounds crystallize in a monoclinic system. The crystallite sizes determined by the Halder-Wagner method were 67.8 ± 8.0nm, 103.7 ± 4.5nm and 68.1 ± 4.2nm, respectively for the holmium citrate, erbium citrate and lutetium citrate samples. The shifts of the hydroxyl and carboxyl groups of citric acid in the FTIR spectrum indicate the interactions of both groups with holmium, erbium and lutetium cations. Then the obtained samples were subjected to the analysis of composition, and their particle size distribution was determined.

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Evidences of the formation of a tin(IV) complex in citric–citrate buffer solution: A study based on voltammetric, FTIR and ab initio calculations

Cited by 33 publications

References 28 publications

Theoretical investigation of the N → Sn coordination in (Me3SnCN)2

Theoretical investigation of the N → Sn coordination in (Me3SnCN)2

Recycled Poly(vinyl alcohol) Sponge for Carbon Encapsulation of Size‐Tunable Tin Dioxide Nanocrystalline Composites

Synthesis of citrates of selected lanthanides (Er, Ho and Lu)

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