Abstract

In this work, we describe the structural investigation of a Ni(II) complex, [Ni(C12H8N2)2(H2O)2]2·(C12H10N2O6)·(NO3)2·10H2O, with phenanthroline ligands, a deprotonated aromatic dicarboxylic acid, N,N′-(1,4-phenylenedicarbonyl)diglycine, and a nitrate as counter-anions, as well as water molecules. Noncovalent interactions, such as π–π stacking, lone-pair···π, and C–H···π between the phenanthrolines of the cationic complex, [Ni(C12H8N2)2(H2O)2]2+, and counter-anions are observed. Moreover, the solvated and noncoordinating counter-anion, N,N′-(1,4-phenylenedicarbonyl)diglycinate, is embedded in classical and nonclassical hydrogen-bonding interactions with water molecules and phenanthrolines. The two water molecules coordinated by the NiII atom and hydrogen bonded to the carboxylate of the N,N′-(1,4-phenylenedicarbonyl)diglycinate show attractive secondary electrostatic interactions, and a DD/AA hydrogen bonding pattern is formed. The noncovalent interactions of the cationic complex and the solvated N,N′-(1,4-phenylenedicarbonyl)diglycinate counter anion were explored with a Hirshfeld surface analysis, and related contributions to crystal cohesion were determined. The results of the N,N′-(1,4-phenylenedicarbonyl)diglycinate counter anion were compared to those of a solvated N,N′-(1,4-phenylenedicarbonyl)diglycine molecule of a previously described copper(II) complex.

Highlights

  • Since Alfred Werner published his theory of the constitution of inorganic compounds in 1893 [1,2], coordination compounds have attracted much attention

  • The asymmetric unit is completed by one noncoordinating nitrate counter-anion and five water molecules, which are involved in classical and nonclassical hydrogen-bonding

  • The two water molecules coordinated by the NiII atom and hydrogen bonded to the carboxylate show an attractive secondary electrostatic interaction [44,45] in the formed hydrogen-bonding pattern

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Summary

Introduction

Since Alfred Werner published his theory of the constitution of inorganic compounds in 1893 [1,2], coordination compounds have attracted much attention. We are able to test the performance of scintillators with a tabletop device [14,15] This approach offers a great opportunity in the search for these materials and in closing the gap between organic and inorganic scintillators containing metals of d-block elements and aromatic ligands. We offer the metal centers a bidentate agent, suchagent, as bipyridine or phenanthroline, during theirtheir reactions with complexing such as bipyridine or phenanthroline, during reactions withthe the N,N-(1,4N,N0 -(1,4phenylenedicarbonyl)diglycine.The. The electron-deficient bidentate nitrogen containing phenylenedicarbonyl)diglycine. N,N-(1,4copper(II) complex, which contain bidentate bipyridine or bidentate phenanthroline ligands phenylenedicarbonyl)diglycine molecules inmolecules the crystal [35,36,37]. The N,N-(1,4-phenylenedicarbonyl)diglycine molecule is embedded in numerous noncovalent interactions and is a one of the main players of the constructed supramolecular network.

Experimental
X-ray Crystallography
C30 H35 N6 NiO13
Description of the Crystal Structure
View of the
View of the extended network noncovalent interactions with
A Cambridge
Hirshfeld
Conclusions
Full Text
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