Synthesis, characterization and crystal structure determination of Mn (II) ion based 1D polymer constructed from 2, 2′ bipyridyl and azide group, its thermal stability, magnetic properties and Hirshfeld surface analysis

Mudsainiyan, Rahul Kumar; Jassal, Amanpreet Kaur; Chawla, S.K.

doi:10.1016/j.jssc.2014.12.028

Cited by 14 publications

(1 citation statement)

References 48 publications

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“…Rigidity and directionality of most of these intermolecular interactions not only dictates the crystal structure but may influence the molecular assembly and crystal packing . Various types of instrumental techniques such as DFT calculations have been used to analyze intra/intermolecular and cooperative/non‐cooperative interactions , . Nowadays, Hirshfeld surface (HS) analysis has also become an indispensable tool for structure investigation .…”

Section: Introductionmentioning

confidence: 99%

A Combined Theoretical Calculation and Hirshfeld Surface Analysis of Cooperative Non‐covalent Interactions in the Crystal Packing in [Cu(L1)₂(EDA)]

Mudsainiyan

Pandey

2017

Zeitschrift anorg allge chemie

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The monomeric complex [Cu(L1)2(EDA)] (I) [L1 = 2,4‐dinitrobenzoic acid, EDA = ethylenediamine), was solved in orthorhombic space group (Pbca) and characterized by elemental analysis, IR spectroscopy, powder XRD analysis, and single‐crystal X‐ray crystallography, in addition to photoluminescence and thermal stability investigation. The Cu2+ ion is connecting with two L1 through monodentate mode of coordination and two nitrogen atoms from EDA. I is associated through cooperative non‐covalent interactions, which are also responsible for the strengthening of the molecular assembly and organize it into a supramolecular 2D motif. Hirshfeld surface analysis was also applied to investigate the cooperative non‐covalent supramolecular interactions and the results were compared with the single‐crystal X‐ray diffraction data. To get clear insights into the both species, electronic properties such as HOMO‐LUMO, electronic chemical potential and other derived parameters were also highlighted using DFT calculations at M06‐2X/ 6‐31G** level of theory. The observed photoluminescence of complex I arises mainly from an excited LLCT state with small MLCT contributions (from Cu2+ to the unoccupied p orbital of L1). The presented work exhibits another example of the utility and prosperity of such kinds of subtle information and features especially, and for complex I at molecular level, generally.

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Section: Introductionmentioning

confidence: 99%

A Combined Theoretical Calculation and Hirshfeld Surface Analysis of Cooperative Non‐covalent Interactions in the Crystal Packing in [Cu(L1)₂(EDA)]

Mudsainiyan

Pandey

2017

Zeitschrift anorg allge chemie

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One-dimensional coordination polymers based on metal–nitrogen linkages

Zhao

Yuan

Fang

et al. 2022

Coordination Chemistry Reviews

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Synthesis, structure and magnetic properties of a new one dimensional manganese coordination polymer constructed by a new asymmetrical ligand

Song

et al. 2015

Inorganica Chimica Acta

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Synthesis, characterization and crystal structure determination of Mn (II) ion based 1D polymer constructed from 2, 2′ bipyridyl and azide group, its thermal stability, magnetic properties and Hirshfeld surface analysis

Cited by 14 publications

References 48 publications

A Combined Theoretical Calculation and Hirshfeld Surface Analysis of Cooperative Non‐covalent Interactions in the Crystal Packing in [Cu(L1)₂(EDA)]

A Combined Theoretical Calculation and Hirshfeld Surface Analysis of Cooperative Non‐covalent Interactions in the Crystal Packing in [Cu(L1)₂(EDA)]

One-dimensional coordination polymers based on metal–nitrogen linkages

Synthesis, structure and magnetic properties of a new one dimensional manganese coordination polymer constructed by a new asymmetrical ligand

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Synthesis, characterization and crystal structure determination of Mn (II) ion based 1D polymer constructed from 2, 2′ bipyridyl and azide group, its thermal stability, magnetic properties and Hirshfeld surface analysis

Cited by 14 publications

References 48 publications

A Combined Theoretical Calculation and Hirshfeld Surface Analysis of Cooperative Non‐covalent Interactions in the Crystal Packing in [Cu(L1)2(EDA)]

A Combined Theoretical Calculation and Hirshfeld Surface Analysis of Cooperative Non‐covalent Interactions in the Crystal Packing in [Cu(L1)2(EDA)]

One-dimensional coordination polymers based on metal–nitrogen linkages

Synthesis, structure and magnetic properties of a new one dimensional manganese coordination polymer constructed by a new asymmetrical ligand

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Product

Resources

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A Combined Theoretical Calculation and Hirshfeld Surface Analysis of Cooperative Non‐covalent Interactions in the Crystal Packing in [Cu(L1)₂(EDA)]

A Combined Theoretical Calculation and Hirshfeld Surface Analysis of Cooperative Non‐covalent Interactions in the Crystal Packing in [Cu(L1)₂(EDA)]