scholarly journals Synthesis, structure and the Hirshfeld surface analysis of three novel metal-tiron coordination complexes

RSC Advances ◽  
2021 ◽  
Vol 11 (18) ◽  
pp. 10767-10776
Author(s):  
Ranjay K. Tiwari ◽  
Ipsha Shruti ◽  
J. N. Behera
Keyword(s):  
Surface Analysis ◽  
Coordination Polymers ◽  
Coordination Complexes ◽  
Disodium Salt ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis

Three novel metal-tiron (4,5-dihydroxy-1,3-benzenedisulfonic acid disodium salt) and other pillared ligand bpy (4,4-bipyridyl) centered coordination polymers were successfully synthesized and characterized.

Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines

CrystEngComm ◽  
2021 ◽  
Author(s):  
Marissa K. Melvin ◽  
Brian W. Skelton ◽  
Paul K. Eggers ◽  
Colin L. Raston
Keyword(s):  
Transition Metal ◽  
Surface Analysis ◽  
Coordination Complexes ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Metal Coordination ◽  
Metal Carboxylate ◽  
X Ray Diffraction ◽  
X Ray ◽  
Directing Effect

Single X-ray diffraction studies and Hirshfeld surface analysis of three transition metal coordination complexes of Py5Me2COOH reveals the ligand's diverse coordination utility and the structure directing effect of the carboxylate moiety.

Understanding metal–ligand interactions in coordination polymers using Hirshfeld surface analysis

2019 ◽  
Vol 75 (6) ◽  
pp. 707-716 ◽  
Author(s):  
Camila B. Pinto ◽  
Leonardo H. R. Dos Santos ◽  
Bernardo L. Rodrigues
Keyword(s):  
Surface Analysis ◽  
Coordination Polymers ◽  
Building Blocks ◽  
Shape Index ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Joint Analysis ◽  
Hirshfeld Surfaces ◽  
Ligand Interactions ◽  
Metal Ligand

Properties related to the size and shape of Hirshfeld surfaces provide insight into the nature and strength of interactions among the building blocks of molecular crystals. In this work, we demonstrate that functions derived from the curvatures of the surface at a point, namely, shape index (S) and curvedness (C), as well as the distances from the surface to the nearest external (d e) and internal (d i) nuclei, can be used to help understand metal–ligand interactions in coordination polymers. The crystal structure of catena-poly[[[(1,10-phenanthroline-κ2 N,N′)copper(II)]-μ-4-nitrophthalato-κ2 O 1:O 2] trihydrate], {[Cu(C8H3NO6)(C12H8N2)]·3H2O} n , described here for the first time, was used as a prototypical system for our analysis. Decomposition of the coordination polymer into its metal centre and ligand molecules followed by joint analysis of the Hirshfeld surfaces generated for each part unveil qualitative and semi-quantitative information that cannot be easily obtained either from conventional crystal packing analysis or from Hirshfeld surface analysis of the entire polymeric units. The shape index function S is particularly sensitive to the coordination details and its mapping on the surface of the metallic centre is highly dependent on the nature of the ligand and the coordination bond distance. Correlations are established between the shape of the Hirshfeld surface of the metal and the geometry of the metal–ligand contacts in the crystals. This could be applied not only to estimate limiting coordination distances in metal–organic compounds, but also to help establish structure–property relationships potentially useful for the crystal engineering of such materials.

Different effects in the selective detection of aniline and Fe3+ by lanthanide-based coordination polymers containing multiple reactive sites

CrystEngComm ◽  
2020 ◽  
Vol 22 (16) ◽  
pp. 2837-2844 ◽  
Author(s):  
Xinfang Liu ◽  
Liyong Du ◽  
Rongfang Li ◽  
Ningning Ma ◽  
Mengdi You ◽  
...  
Keyword(s):  
Surface Analysis ◽  
Coordination Polymers ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Selective Detection ◽  
Detection Ability ◽  
High Detection

Isostructural Ln-CPs (1-Eu and 2-Tb) show almost the same high detection ability for Fe3+ and different detection abilities for aniline. The detection difference was studied through PXRD, UV-vis, luminescence lifetimes and Hirshfeld surface analysis.

A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties

2018 ◽  
Vol 47 (35) ◽  
pp. 12318-12336 ◽  
Author(s):  
Manesh Kumar ◽  
Mukaddus Kariem ◽  
Haq Nawaz Sheikh ◽  
Antonio Frontera ◽  
Saikat Kumar Seth ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Surface Analysis ◽  
Coordination Polymers ◽  
Solvothermal Synthesis ◽  
Structural Diversity ◽  
Hirshfeld Surface ◽  
Dft Study ◽  
Hirshfeld Surface Analysis ◽  
Lanthanide Coordination Polymers ◽  
Pyridinedicarboxylic Acid

Solvothermal synthesis of six novel coordination polymers of Ln(iii) containing 3,5-pyridinedicarboxylic acid.

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