Producción Científica Profesorado

Subtle C-H---Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence.



Alvarado Rodríguez, José Guadalupe

2014

Subtle C?H???Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence. Edmundo Guzmán-Percástegui, José G. Alvarado-Rodr?íguez, Julián Cruz-Borbolla, Noemí Andrade-López, Thangarasu Pandiyan, Rosa A. Vázquez-García, Rigo N. Nava-Galindo. Crystal Growth & Design, 14 (2014) 3742?3757. doi:10.1021/cg401818k.


Abstract


This report illustrates a successful C?HHal synthon-directed strategy to promote supramolecular aggregation of molecular luminescent complexes 1?6 into two- or three-dimensional supramolecular architectures. The tin complexes were prepared from the reaction of RnSnHal4?n compounds (R = n-Bu, Ph; Hal = Cl, Br; n = 0, 1) with (C5H4N)HC?N(C6H4)EH Schiff bases by either step-by-step synthesis [E = O (PyNO)] or multicomponent reaction [E = S (PyNS)]. Compounds 1?6 were characterized by IR, Raman, and 1H, 13C, and 119Sn NMR spectroscopic studies as well as by X-ray diffraction studies. In addition, the fluorescent properties of all compounds were also investigated in the solid state and in THF solutions; the emission wavelengths ranged from orange to red (?max = 591?626 nm). Detailed structural characterization of the supramolecular organization of ordered solids revealed overall 2D and 3D interlinked networks driven by extensive C?HHal?Sn (Hal = Cl, Br) weak hydrogen bonds as primordial synthon and further stabilized by ?? stacking interactions as well as C?H?, C?HO, or C?HN contacts. Hirshfeld surface analysis and DFT calculations were used to asses additional insights into crystal structural features.



Producto de Investigación




Artículos relacionados

Study on the intramolecular transannular chalcogentin interactions in dithiastannecine compounds.

Pyrite?Arsenopyrite Galvanic Interaction and Electrochemical Reactivity

Synthesis and Spectroelectrochemical Studies of Mixed Heteroleptic Chelate Complexes of Ruthenium(II...

Synthesis, characterization and crystal structures of dipyridyl-N-methylimine and cloro-bis (N,N?-2,...

Complexation of the uranyl ion (UO2)2+ with a tetraphenylimidodiphosphinate ligand: the first trinuc...

Pentacoordination at antimony in dibenzostibocines via DSb transannular interactions (D = O, S): A s...

Structural differences in eight- and ten-membered heterocyclic tin compounds displaying transannular...

Synthesis and Crystal Structure of [Te{S(C6H3S)2O}]: A Tetracyclic Tellurium(II) Compound Displaying...

Six-membered ring chelate complexes of Pd(II) and Pt(II) derived from di-(2-pyridyl)pyrimidin-2-ylsu...

Pentacoordination at Germanium by Transannular Bonding of Sulfur or Oxygen in an Eight-Membered Ring...