scholarly journals Nature and Hierarchy of Hydrogen-Bonding Interactions in Binary Complexes of Azoles with Water and Hydrogen Peroxide

ACS Omega ◽  
2018 ◽  
Vol 3 (10) ◽  
pp. 12688-12702 ◽  
Author(s):  
Neha Chopra ◽  
Damanjit Kaur ◽  
Geetanjali Chopra
2017 ◽  
Vol 73 (11) ◽  
pp. 1666-1669 ◽  
Author(s):  
Andrei V. Churakov ◽  
Petr V. Prikhodchenko ◽  
Alexander G. Medvedev ◽  
Alexey A. Mikhaylov

The title adduct, C14H13NO·H2O2, consists of (Z)-N-benzylidene-1-phenylmethanamine oxide and hydrogen peroxide molecules in a 1:1 ratio. The organic coformer adopts a skew geometry with an inter-aryl-ring dihedral angle of 81.9 (2)°. In the crystal, the organic and peroxide molecules are linked through both peroxide O—H donor groups to oxide O-atom acceptors, giving one-dimensional chains extending along thebaxis. Present also are weak intermolecular C—H...O hydrogen-bonding interactions.


1990 ◽  
Vol 55 (10) ◽  
pp. 2377-2380
Author(s):  
Hamza A. Hussain

Nitroxide free radicals prepared from diethylamine, piperidine and pyrrolidine by oxidation with hydrogen peroxide were studied by ESR spectroscopy. The changes in the 14N splitting constant (aN) caused by the addition of KBr or tetraethylammonium bromide were measured in dependence on the concentration of the ions. For diethylamine nitroxide and piperidine nitroxide, the results are discussed in terms of two equilibria: the one, involving the anion, is associated with a gain or loss of hydrogen bonds to the nitroxide oxygen atom, the other is associated with the formation of solvent shared units involving the cation, which results in changes in the hydrogen bonding strenght. The large increase in the aN value in the case of pyrrolidine nitroxide is explained in terms of an interaction from one side of the positively charged N atom; the increase in aN in the case of diethylamine and piperidine nitroxides is explained in terms of interactions with both sides of the positively charged N atom.


2021 ◽  
Author(s):  
Thufail M. Ismail ◽  
Neetha Mohan ◽  
P. K. Sajith

Interaction energy (Eint) of hydrogen bonded complexes of nitroxide radicals can be assessed in terms of the deepest minimum of molecular electrostatic potential (Vmin).


RSC Advances ◽  
2020 ◽  
Vol 10 (64) ◽  
pp. 39033-39036
Author(s):  
Ayano Awatani ◽  
Masaaki Suzuki

Triply β-dicarbonyl-embedded 1,3,5-triazine derivatives result in formation of circular linkage of resonance-assisted hydrogen bonding interactions, which can be regarded as well-delocalized resonance hybrids.


Soft Matter ◽  
2021 ◽  
Author(s):  
Aliaksei Aliakseyeu ◽  
Victoria Albright ◽  
Danielle Yarbrough ◽  
Samantha Hernandez ◽  
Qing Zhou ◽  
...  

This work establishes a correlation between the selectivity of hydrogen-bonding interactions and the functionality of micelle-containing layer-by-layer (LbL) assemblies. Specifically, we explore LbL films formed by assembly of poly(methacrylic acid)...


Nanomaterials ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 1908
Author(s):  
Hai Li ◽  
Sooman Lim

Self-polarized piezoelectric devices have attracted significant interest owing to their fabrication processes with low energy consumption. Herein, novel poling-free piezoelectric nanogenerators (PENGs) based on self-polarized polyvinylidene difluoride (PVDF) induced by the incorporation of different surface-modified barium titanate nanoparticles (BTO NPs) were prepared via a fully printing process. To reveal the effect of intermolecular interactions between PVDF and NP surface groups, BTO NPs were modified with hydrophilic polydopamine (PDA) and hydrophobic 1H,1H,2H,2H-perfluorodecyltriethoxysilane (PFDTES) to yield PDA-BTO and PFD-BTO, respectively. This study demonstrates that the stronger hydrogen bonding interactions existed in PFD-BTO/PVDF composite film comparative to the PDA-BTO/PVDF composite film induced the higher β-phase formation (90%), which was evidenced by the XRD, FTIR and DSC results, as well as led to a better dispersion of NPs and improved mechanical properties of composite films. Consequently, PFD-BTO/PVDF-based PENGs without electric poling exhibited a significantly improved output voltage of 5.9 V and power density of 102 μW cm−3, which was 1.8 and 2.9 times higher than that of PDA-BTO/PVDF-based PENGs, respectively. This study provides a promising approach for advancing the search for high-performance, self-polarized PENGs in next-generation electric and electronic industries.


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