scholarly journals Polymorph-Selective Role of Hydrogen Bonding and π–π Stacking in p-Aminobenzoic Acid Solutions

2020 ◽  
Vol 21 (1) ◽  
pp. 436-448
Author(s):  
Raitis Bobrovs ◽  
Laura Drunka ◽  
Andrievs Auseklis Auzins ◽  
Kristaps Jaudzems ◽  
Matteo Salvalaglio
Keyword(s):  
Hydrogen Bonding ◽  
Acid Solutions ◽  
Aminobenzoic Acid ◽  
Π Stacking

scholarly journals The role of π–π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds

2019 ◽  
Vol 75 (2) ◽  
pp. 178-188 ◽  
Author(s):  
Taraneh Hajiashrafi ◽  
Roghayeh Zekriazadeh ◽  
Keith J. Flanagan ◽  
Farnoush Kia ◽  
Antonio Bauzá ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Coordination Compounds ◽  
Spectroscopic Techniques ◽  
Stacking Interactions ◽  
X Ray Crystallography ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking ◽  
Research Domain

The supramolecular chemistry of coordination compounds has become an important research domain of modern inorganic chemistry. Herein, six isostructural group IIB coordination compounds containing a 2-{[(2-methoxyphenyl)imino]methyl}phenol ligand, namely dichloridobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)zinc(II), [ZnCl2(C28H26N2O4)], 1, diiodidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)zinc(II), [ZnI2(C28H26N2O4)], 2, dibromidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)cadmium(II), [CdBr2(C28H26N2O4)], 3, diiodidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)cadmium(II), [CdI2(C28H26N2O4)], 4, dichloridobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)mercury(II), [HgCl2(C28H26N2O4)], 5, and diiodidobis(2-{(E)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κO)mercury(II), [HgI2(C28H26N2O4)], 6, were synthesized and characterized by X-ray crystallography and spectroscopic techniques. All six compounds exhibit an infinite one-dimensional ladder in the solid state governed by the formation of hydrogen-bonding and π–π stacking interactions. The crystal structures of these compounds were studied using geometrical and Hirshfeld surface analyses. They have also been studied using M06-2X/def2-TZVP calculations and Bader's theory of `atoms in molecules'. The energies associated with the interactions, including the contribution of the different forces, have been evaluated. In general, the π–π stacking interactions are stronger than those reported for conventional π–π complexes, which is attributed to the influence of the metal coordination, which is stronger for Zn than either Cd or Hg. The results reported herein might be useful for understanding the solid-state architecture of metal-containing materials that contain M II X 2 subunits and aromatic organic ligands.

scholarly journals Correction: 2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π–π stacking and hydrogen bonding

2019 ◽  
Vol 43 (7) ◽  
pp. 3236-3236
Author(s):  
Manesh Kumar ◽  
Haq Nawaz Sheikh ◽  
Antonio Franconetti ◽  
Jan K. Zaręba ◽  
Subash Chandra Sahoo ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Coordination Polymers ◽  
Lanthanide Coordination Polymers ◽  
Π Stacking ◽  
Furandicarboxylic Acid

Correction for ‘2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π–π stacking and hydrogen bonding’ by Manesh Kumar et al., New J. Chem., 2019, DOI: 10.1039/c8nj05701j.

Self-assembly of novel Fmoc-cardanol compounds into hydrogels – analysis based on rheological, structural and thermal properties

Soft Matter ◽  
2020 ◽  
Vol 16 (27) ◽  
pp. 6294-6303
Author(s):  
Aliya Kadeeja ◽  
Seena Joseph ◽  
Jancy Nixon Abraham
Keyword(s):  
Hydrogen Bonding ◽  
Thermal Properties ◽  
Self Assembly ◽  
Π Stacking ◽  
Hydrogel Formation ◽  
Self Assembled ◽  
Long Fibers

Fluorenylmethyloxycarbonyl substituted cardanol derivatives self-assembled into long fibers in methanol and crosslinked to form gels in DMSO/water. The role of hydrogen-bonding, hydrophobicity, and π–π stacking in governing self-assembly and hydrogel formation is investigated.

scholarly journals B-DNA structure and stability: the role of hydrogen bonding, π–π stacking interactions, twist-angle, and solvation

2014 ◽  
Vol 12 (26) ◽  
pp. 4691-4700 ◽  
Author(s):  
Jordi Poater ◽  
Marcel Swart ◽  
F. Matthias Bickelhaupt ◽  
Célia Fonseca Guerra
Keyword(s):  
Hydrogen Bonding ◽  
Quantum Chemical ◽  
Twist Angle ◽  
Dna Structure ◽  
Stacking Interactions ◽  
Chemical Analyses ◽  
Structure And Stability ◽  
Π Stacking ◽  
Insight Into

Insight into structure and stability of B-DNA is obtained through systematic quantum chemical analyses of the roles played by hydrogen bonding, π–π stacking, solvation, and twist-angle.

2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π–π stacking and hydrogen bonding

2019 ◽  
Vol 43 (5) ◽  
pp. 2179-2195 ◽  
Author(s):  
Manesh Kumar ◽  
Haq Nawaz Sheikh ◽  
Antonio Fraconetti ◽  
Jan K. Zaręba ◽  
Subash Chandra Sahoo ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Coordination Polymers ◽  
Carboxylate Ligands ◽  
Lanthanide Coordination Polymers ◽  
Π Stacking ◽  
Furandicarboxylic Acid

Heteroaromatic carboxylate ligands are very intriguing components of coordination assemblies such as coordination polymers (CPs) due to their inherently multitopic structures.

Insights into DNA Binding of Ruthenium Arene Complexes: Role of Hydrogen Bonding and π Stacking

2008 ◽  
Vol 47 (9) ◽  
pp. 3893-3902 ◽  
Author(s):  
Konstantinos Gkionis ◽  
James A. Platts ◽  
J. Grant Hill
Keyword(s):  
Hydrogen Bonding ◽  
Dna Binding ◽  
Arene Complexes ◽  
Π Stacking ◽  
Ruthenium Arene

The role of hydrogen bonding in π···π stacking interactions in Ni(II) complex derived from triethanolamine: synthesis, crystal structure, antimicrobial, and DFT studies

2019 ◽  
Vol 45 (11) ◽  
pp. 5649-5664 ◽  
Author(s):  
Muddasra Rubab ◽  
Muhammad Nadeem Akhtar ◽  
Wiktor Zierkiewicz ◽  
Mariusz Michalczyk ◽  
Raziya Nadeem ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Stacking Interactions ◽  
Dft Studies ◽  
Π Stacking

Hierarchy of π-Stacking Determines the Conformational Preference of Bis-Squaraines

2020 ◽  
Author(s):  
Abhishek Singh ◽  
Reman K. Singh ◽  
G Naresh Patwari
Keyword(s):  
Hydrogen Bonding ◽  
Rational Design ◽  
Biological Molecules ◽  
Conformational Space ◽  
X Ray Crystallography ◽  
Simple Strategy ◽  
Induced Folding ◽  
Π Stacking ◽  
Varying Length ◽  
Dynamics Simulations

The rational design of conformationally controlled foldable modules can lead to a deeper insight into the conformational space of complex biological molecules where non-covalent interactions such as hydrogen bonding and π-stacking are known to play a pivotal role. Squaramides are known to have excellent hydrogen bonding capabilities and hence, are ideal molecules for designing foldable modules that can mimic the secondary structures of bio-molecules. The π-stacking induced folding of bis-squaraines tethered using aliphatic primary and secondary-diamine linkers of varying length is explored with a simple strategy of invoking small perturbations involving the length linkers and degree of substitution. Solution phase NMR investigations in combination with molecular dynamics simulations suggest that bis-squaraines predominantly exist as extended conformations. Structures elucidated by X-ray crystallography confirmed a variety of folded and extended secondary conformations including hairpin turns and 𝛽-sheets which are determined by the hierarchy of π-stacking relative to N–H···O hydrogen bonds.

Hierarchy of π-Stacking Determines the Conformational Preference of Bis-Squaraines

2020 ◽  
Author(s):  
Abhishek Singh ◽  
Reman K. Singh ◽  
G Naresh Patwari
Keyword(s):  
Hydrogen Bonding ◽  
Rational Design ◽  
Biological Molecules ◽  
Conformational Space ◽  
X Ray Crystallography ◽  
Simple Strategy ◽  
Induced Folding ◽  
Π Stacking ◽  
Varying Length ◽  
Dynamics Simulations

The rational design of conformationally controlled foldable modules can lead to a deeper insight into the conformational space of complex biological molecules where non-covalent interactions such as hydrogen bonding and π-stacking are known to play a pivotal role. Squaramides are known to have excellent hydrogen bonding capabilities and hence, are ideal molecules for designing foldable modules that can mimic the secondary structures of bio-molecules. The π-stacking induced folding of bis-squaraines tethered using aliphatic primary and secondary-diamine linkers of varying length is explored with a simple strategy of invoking small perturbations involving the length linkers and degree of substitution. Solution phase NMR investigations in combination with molecular dynamics simulations suggest that bis-squaraines predominantly exist as extended conformations. Structures elucidated by X-ray crystallography confirmed a variety of folded and extended secondary conformations including hairpin turns and 𝛽-sheets which are determined by the hierarchy of π-stacking relative to N–H···O hydrogen bonds.

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