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.



Andrade López, Noemí

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

Determination of Glucose by Flow Injection Analysis with Amperometric Detection at Fe(III)-(tris(3,5...

Understanding and Predicting Distorted T- versus Y-Geometries for Neutral Chromous Complexes Support...

Organometallic tin complexes derived from 2-guanidinobenzimidazole

Study of the D?Sb (D = O, S) Transannular Interaction in Sb-Monohalogenated Dibenzostibocines ? An E...

Hypervalence at tin(IV) by transannular bonding of sulfur in an eight-membered ring: The case of dib...

Hexacoordinated spirocyclic germanium(IV) complex: Synthesis and structural characterization

Synthesis and structural characterization of bis-chelate Pd(II) complexes derived from substituted d...

Synthesis, Characterisation and Properties of As-Monohalogenated Dibenzoarsocines S(C6H4S)2AsHal (Ha...

Synthesis, Characterisation and Properties of As-Monohalogenated Dibenzoarsocines S(C6H4S)2AsHal (Ha...

Versatile behavior of 2-guanidinobenzimidazole nitrogen atoms toward protonation, coordination and m...