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Sonication-assisted synthesis of a strawberry-like nano-structure triphenyltin(IV) adduct as precursor for preparation of nano-sized SnP2O7: Crystal structure and DFT calculations
Authors:
- Mahtab Alipour,
- Niloufar Dorosti,
- Maciej Kubicki
- Record ID
- UAM496099732f3949e9956a365c979a5b44
- Author
- Journal series
- Journal of Molecular Structure, ISSN 0022-2860, e-ISSN 1872-8014
- Issue year
- 2021
- Vol
- 1230
- Pages
- 1-13
- Article number
- 129630
- Keywords in original language
- Triorganotin Crystal structure Nanostrawberry DFT calculations Hirshfeld surface
- ASJC Classification
- ; ; ;
- Abstract in original language
- A triphenyltin(IV) adduct of phosphoramide with a formula of [Sn(Ph)3Cl(L1)] (C1), L1 = N-phenyl-N´,N´´-bis(pentamethylene) phosphoric triamide, has been synthesized and characterized by elemental analyses and IR spectroscopy. In the crystal structure, the tin(IV) environment adopts a distorted trigonal bipyramidal geometry with three phenyl groups in the equatorial plane, one chloro atom and the oxygen atom of ligand at the axial sites. Hirshfeld surface analysis and fingerprint plots were used to investigat of the intermolecular interactions, responsible for the crystal architecture. The complex was also prepared under ultrasonic irradiation (C1a) and characterized by elemental analyses, IR, and X-ray powder diffraction (XRPD). The effects of two different concentrations of initial reagents on the size and morphology of the nanomaterial were studied by scanning electron microscopy (SEM), which shows that C1a grown as nano-strawberry morphology. The calcination of triorganotin complex in air atmosphere led to production of nano-structured tin pyrophosphate. The thermal stabilities of the single crystal and of the nano-crystalline form were investigated by thermal gravimetric and differential thermal analyses. The structural and electronic properties of L1, C1 and similar molecules were evaluated by density functional theory (DFT) calculations. Parameters derived from NBO and QTAIM analyses suggest that the nature of Sn-O interaction is electrostatic with a small amount of covalent character and donor-acceptor delocalization from the ligand oxygen atom to the tin center. Moreover, the electronic parameters including HOMO-LUMO orbitals, bond gap, chemical hardness-softness, electronegativity, and electrophilicity were calculated.
- DOI
- DOI:10.1016/j.molstruc.2020.129630 Opening in a new tab
- URL
- https://www.sciencedirect.com/science/article/pii/S002228602031944X?via%3Dihub Opening in a new tab
- Language
- eng (en) English
- Score (nominal)
- 70
- Score source
- journalList
- Score
- = 70.0, 13-05-2022, ArticleFromJournal
- Publication indicators
- = 0; : 2018 = 0.807; : 2019 (2 years) = 2.463 - 2019 (5 years) =2.121
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- Uniform Resource Identifier
- https://researchportal.amu.edu.pl/info/article/UAM496099732f3949e9956a365c979a5b44/
- URN
urn:amu-prod:UAM496099732f3949e9956a365c979a5b44
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