scholarly journals Aggregation of coronene: the effect of carboxyl and amine functional groups

2021 ◽  
Author(s):  
C. F. O. Correia ◽  
J. M. C. Marques ◽  
M. Bartolomei ◽  
F. Pirani ◽  
E. Maçôas ◽  
...  
Keyword(s):  
Global Optimization ◽  
Hydrogen Bonds ◽  
Functional Groups ◽  
Weak Hydrogen Bonds ◽  
Amine Groups

Global optimization reveals that aggregation is enhanced for coronene substituted with carboxylic and amine groups, which is due to the influence of weak hydrogen bonds and stronger electrostatic contributions.

scholarly journals Crystal structure of 3-methoxy-4-[2-(thiazol-2-yl)diazen-1-yl]aniline monohydrate

2019 ◽  
Vol 75 (3) ◽  
pp. 354-357
Author(s):  
Nutchanikan Phiromphu ◽  
Kittipong Chainok ◽  
Apisit Songsasen ◽  
Tanwawan Duangthongyou
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Functional Groups ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Azo Dye ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Weak Hydrogen Bonds

In the title hydrated azo dye, C10H10N4OS·H2O, the benzene and thiazole, are nearly coplanar, with a dihedral angle between their mean planes of 4.69 (17)°. The aromatic rings on the –N=N– moiety exhibit a trans configuration. The crystal structure features many types of intermolecular interactions involving all the functional groups – strong hydrogen bonds (N...H and O...H), weak hydrogen bonds (C—H...O and C—H...N), C—H...π and π–π interactions – resulting in the formation of a three-dimensional framework.

scholarly journals N′-Cyclododecylidenepyridine-4-carbohydrazide

2012 ◽  
Vol 68 (4) ◽  
pp. o1205-o1205
Author(s):  
Andreas Lemmerer ◽  
Joel Bernstein ◽  
Volker Kahlenberg
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Functional Groups ◽  
Title Compound ◽  
Antituberculosis Drug ◽  
Compound C

The title compound, C18H27N3O, is a derivative of the antituberculosis drug isoniazid (systematic name: pyridine-4-carbohydrazidei). The crystal structure consists of repeatingC(4) chains along thebaxis, formed by N—H...O hydrogen bonds with adjacent amide functional groups that are related by ab-glide plane. The cyclododecyl ring has the same approximately `square' conformation, as seen in the parent hydrocarbon cyclododecane.

Raman spectroscopy of weak hydrogen bonds in the liquid phase

1978 ◽  
Vol 47 ◽  
pp. 285-290 ◽  
Author(s):  
J.P. Perchard ◽  
C. Perchard ◽  
A. Burneau ◽  
J. Limouzi
Keyword(s):  
Raman Spectroscopy ◽  
Liquid Phase ◽  
Hydrogen Bonds ◽  
Weak Hydrogen Bonds

scholarly journals Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation

CrystEngComm ◽  
2012 ◽  
Vol 14 (1) ◽  
pp. 178-187 ◽  
Author(s):  
Carl-Johan Wallentin ◽  
Edvinas Orentas ◽  
Magnus T. Johnson ◽  
Nikoletta B. Báthori ◽  
Eugenijus Butkus ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Network Formation ◽  
Weak Hydrogen Bonds

scholarly journals Bis(3-carbamoylpyridin-1-ium) phosphite monohydrate

2018 ◽  
Vol 74 (9) ◽  
pp. 1295-1298
Author(s):  
Jan Fábry
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Secondary Amine ◽  
Symmetry Plane ◽  
Structural Features ◽  
Water Molecules ◽  
Amine Groups

Two of the constituent molecules in the title structure, 2C6H7N2O+·HPO3 2−·H2O, i.e. the phosphite anion and the water molecule, are situated on a symmetry plane. The molecules are held together by moderate N—H...O and O—H...N, and weak O—H...O and C—H...Ocarbonyl hydrogen bonds in which the amide and secondary amine groups, and the water molecules are involved. The structural features are usual, among them the H atom bonded to the P atom avoids hydrogen bonding.

scholarly journals Simultaneous removal of cationic and anionic dyes from aqueous solution by double functional groups modified bagasse

2020 ◽  
Vol 82 (10) ◽  
pp. 2159-2167
Author(s):  
Ru-yi Zhou ◽  
Jun-xia Yu ◽  
Ru-an Chi
Keyword(s):  
Aqueous Solution ◽  
Functional Groups ◽  
Order Kinetic ◽  
Anionic Dyes ◽  
Adsorption Capacities ◽  
Order Kinetic Model ◽  
Pseudo Second Order ◽  
Amine Groups ◽  
Modified Adsorbents ◽  
Zeta Potential Analysis

Abstract Double functional groups modified bagasse (DFMBs), a series of new zwitterionic groups of carboxyl and amine modified adsorbents, were prepared through grafting tetraethylenepentamine (TEPA) onto the pyromellitic dianhydride (PMDA) modified bagasse using the DCC/DMAP method. DFMBs' ability to simultaneously remove basic magenta (BM, cationic dye) and Congo red (CR, anionic dye) from aqueous solution in single and binary dye systems was investigated. FTIR spectra and Zeta potential analysis results showed that PMDA and TEPA were successfully grafted onto the surface of bagasse, and the ratio of the amount of carboxyl groups and amine groups was controlled by the addition of a dosage of TEPA. Adsorption results showed that adsorption capacities of DFMBs for BM decreased while that for CR increased with the increase of the amount of TEPA in both single and binary dye systems, and BM or CR was absorbed on the modified biosorbents was mainly through electrostatic attraction and hydrogen bond. The adsorption for BM and CR could reach equilibrium within 300 min, both processes were fitted well by the pseudo-second-order kinetic model. The cationic and anionic dyes removal experiment in the binary system showed that DMFBs could be chosen as adsorbents to treat wastewater containing different ratios of cationic and anionic dyes.

scholarly journals Weak Hydrogen Bonds in Some Six- and Five-atom Interactions: An AIM Topological Analysis

2013 ◽  
Vol 2 (6) ◽  
pp. 343-346 ◽  
Author(s):  
Francisco Sánchez-Viesca ◽  
Fernando Cortés ◽  
Reina Gómez ◽  
Martha Berros
Keyword(s):  
Hydrogen Bonds ◽  
Topological Analysis ◽  
Weak Hydrogen Bonds

scholarly journals catena-Poly[[[bis(acetonitrile-κN)(4,4′-dimethoxy-2,2′-bipyridine-κ2 N,N′)copper(II)]-μ-trifluoromethanesulfonato-κ2 O:O′] trifluoromethanesulfonate]

IUCrData ◽  
2020 ◽  
Vol 5 (10) ◽  
Author(s):  
Rafael A. Adrian ◽  
Diego R. Hernandez ◽  
Hadi D. Arman
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Metal Organic Frameworks ◽  
Starting Material ◽  
Compound A ◽  
Distorted Octahedral ◽  
Weak Hydrogen Bonds ◽  
Polymeric Chains ◽  
Metal Organic ◽  
Bipyridine Ligand

The central copper(II) atom of the title salt, {[Cu(CF3SO3)(CH3CN)2(C12H12N2O2)](CF3SO3)} n or [[Cu(CH3CN)2(diOMe-bpy)(CF3SO3)](CF3SO3)] n where diOMe-bpy is 4,4′-dimethoxy-2,2′-bipyridine, C12H12N2O2, is sixfold coordinated by the N atoms of the chelating bipyridine ligand, the N atoms of two acetonitrile molecules, and two trifluoromethanesulfonate O atoms in a tetragonally distorted octahedral shape. The formation of polymeric chains [Cu(CH3CN)2(diOMe-bpy)(CF3SO3)]+ n leaves voids for the non-coordinating trifluoromethanesulfonate anions that interact with the complex through weak hydrogen bonds. The presence of weakly coordinating ligands like acetonitrile and trifluoromethanesulfonate makes the title compound a convenient starting material for the synthesis of novel metal–organic frameworks.

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