Aggregation and Tunable Color Emission Behaviors of
            l
            ‐Glutamine‐Derived Platinum(II) Bipyridine Complexes by Hydrogen‐Bonding, π–π Stacking and Metal–Metal Interactions

Two new Na and K coordination polymers with halogen bond, metallophilic and hydrogen bonding interactions were synthesized. These two compounds were synthesized sonochemically and solid-state conversions of them to each other were investigated.

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Tuning of Supramolecular Architectures of l -Valine-Containing Dicyanoplatinum(II) 2,2′-Bipyridine Complexes by Metal-Metal, π-π Stacking, and Hydrogen-Bonding Interactions

Chemistry - A European Journal ◽

10.1002/chem.201601983 ◽

2016 ◽

Vol 22 (33) ◽

pp. 11826-11836 ◽

Cited By ~ 13

Author(s):

Heidi Li-Ki Fu ◽

Charlotte Po ◽

Hexiang He ◽

Sammual Yu-Lut Leung ◽

Kam Sing Wong ◽

...

Keyword(s):

Hydrogen Bonding ◽

Supramolecular Architectures ◽

Hydrogen Bonding Interactions ◽

Π Stacking ◽

Metal Metal

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

10.26434/chemrxiv.13041830.v1 ◽

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

10.26434/chemrxiv.13041830 ◽

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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