Synthesis, crystal structure, spectroscopic, and Hirshfeld surface study of a new functionalized α-hydroxyphosphonate complex of tin(IV) chloride

Abstract

A new octahedral [SnCl₄L·H₂O] complex (L = γ-keto allyl phosphonate) (1) was prepared and characterized by multinuclear (¹H, ¹³C, ³¹P, and ¹¹⁹Sn) NMR spectroscopy, IR spectroscopy, and single-crystal X-ray diffraction. The NMR data show that, in solution, the complex exclusively exists in trans isomeric form. The solution structure was confirmed by ¹¹⁹Sn NMR spectrum, showing a single triplet corresponding to the trans isomer. The effect of distant substituent on the metal–ligand interaction was investigated and compared to closely related tin–phosphoryl complexes. The crystal structure is stabilized by strong O-H···Cl hydrogen bonds forming layers of dimers with absence of π–π interactions. The Hirshfeld surface analysis confirms the interactions involving hydrogen atoms in the complex by the higher percentage of H···H (41.1%) and Cl···H/H···Cl (40%) interactions.

Graphical abstract

Keywords:

• α-Hydroxyphosphonate
• tin complex
• ¹¹⁹Sn and ³¹P NMR
• NMR spectroscopy
• X-ray diffraction

Additional information

Funding

We are grateful to the Tunisian Ministry of Higher Education and Scientific Research for financial support (LR99ES14 and LR15ES01) of this research. This project is carried out under the MOBIDOC scheme, funded by The Ministry of Higher Education and Scientific Research through the PromESsE project and managed by the ANPR.