Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols

2004 ◽  
Vol 28 (1) ◽  
pp. 26 ◽  
Author(s):  
Ryo Horikoshi ◽  
Chisato Nambu ◽  
Tomoyuki Mochida
Keyword(s):  
Hydrogen Bonds ◽  
Carboxylic Acids ◽  
Supramolecular Assembly ◽  
Aromatic Alcohols ◽  
Dimensional Variation

scholarly journals S−H…O and O−H…O Hydrogen Bonds‐Comparison of Dimers of Thiocarboxylic and Carboxylic Acids

ChemPhysChem ◽  
2020 ◽  
Vol 21 (15) ◽  
pp. 1620-1620
Author(s):  
Mohammad Aarabi ◽  
Samira Gholami ◽  
Sławomir J. Grabowski
Keyword(s):  
Hydrogen Bonds ◽  
Carboxylic Acids

scholarly journals Dielectric properties of supramolecular ionic structures obtained from multifunctional carboxylic acids and amines

RSC Advances ◽  
2014 ◽  
Vol 4 (68) ◽  
pp. 36117-36124 ◽  
Author(s):  
Lidia González ◽  
Liyun Yu ◽  
Søren Hvilsted ◽  
Anne Ladegaard Skov
Keyword(s):  
Dielectric Properties ◽  
Carboxylic Acids ◽  
Supramolecular Assembly

Dielectric properties of ionic networks formed from the supramolecular assembly of amine and carboxy functionalised polymers were measured and analyzed.

Redshift or Adduct Stabilization—A Computational Study of Hydrogen Bonding in Adducts of Protonated Carboxylic Acids

2009 ◽  
Vol 15 (2) ◽  
pp. 239-248 ◽  
Author(s):  
Solveig Gaarn Olesen ◽  
Steen Hammerum
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Bond Strength ◽  
Bond Length ◽  
Carboxylic Acids ◽  
Computational Study ◽  
Proton Affinities ◽  
Oh Groups ◽  
Hydrogen Bond Strength ◽  
Length Changes

It is generally expected that the hydrogen bond strength in a D–H•••A adduct is predicted by the difference between the proton affinities (Δ PA) of D and A, measured by the adduct stabilization, and demonstrated by the infrared (IR) redshift of the D–H bond stretching vibrational frequency. These criteria do not always yield consistent predictions, as illustrated by the hydrogen bonds formed by the E and Z OH groups of protonated carboxylic acids. The Δ PA and the stabilization of a series of hydrogen bonded adducts indicate that the E OH group forms the stronger hydrogen bonds, whereas the bond length changes and the redshift favor the Z OH group, matching the results of NBO and AIM calculations. This reflects that the thermochemistry of adduct formation is not a good measure of the hydrogen bond strength in charged adducts, and that the ionic interactions in the E and Z adducts of protonated carboxylic acids are different. The OH bond length and IR redshift afford the better measure of hydrogen bond strength.

Hydrogen Bonds in "Carboxyoximes": the Case of Bomane Derivatives

2000 ◽  
Vol 55 (8) ◽  
pp. 677-684 ◽  
Author(s):  
Maciej Kubicki ◽  
Teresa Borowiak ◽  
Wiesław Z. Antkowiak
Keyword(s):  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Carboxylic Acids ◽  
Supramolecular Structures ◽  
X Ray Diffraction ◽  
X Ray ◽  
Carboxylic Groups ◽  
Acid Function

Abstract The tendency of forming mixed carboxyl-to-oxime hydrogen bonds was tested on the series of bornane derivatives: one with the acid function only (bornane-2-endo-carboxylic acid), one with the oxime function (2,2′-diethylthiobomane-3-oxime), and one with both oxime and carboxylic functions (bornane-2-oxime-3-endo-carboxylic acid). The crystal structures of these compounds were determined by means of X-ray diffraction. In bornane-2-endo-carboxylic acid and 2,2′-diethylthiobornane-3-oxime 'homogenic' hydrogen bonds were found, and these hydrogen bonds close eight-and six-membered rings, respectively. By contrast, in bornane-2-oxime-3-endo-carboxylic acid 'heterogenic' hydrogen bonds between carboxylic and oxime bonds were found. This carboxylic-oxime, or 'carboxyoxime' system is almost always present in compounds which have both oxime and carboxylic groups; therefore it can be regarded as an element of supramolecular structures (synthon). The presence of such synthons can break the tendency of carboxylic acids and oximes towards crystallizing in centrosymmetric structures.

Bis(methoxypropyl) ether-promoted oxidation of aromatic alcohols into aromatic carboxylic acids and aromatic ketones with O2 under metal- and base-free conditions

2018 ◽  
Vol 20 (13) ◽  
pp. 3038-3043 ◽  
Author(s):  
Kai-Jian Liu ◽  
Si Jiang ◽  
Ling-Hui Lu ◽  
Ling-Li Tang ◽  
Shan-Shan Tang ◽  
...  
Keyword(s):  
Carboxylic Acids ◽  
Metal Base ◽  
Aromatic Ketones ◽  
Aromatic Carboxylic Acids ◽  
Oxidation Of Alcohols ◽  
Aromatic Alcohols

A practical and eco-friendly protocol for the oxidation of alcohols into carboxylic acids and ketones under metal-, base- and additive-free conditions is reported.

S−H…O and O−H…O Hydrogen Bonds‐Comparison of Dimers of Thiocarboxylic and Carboxylic Acids

ChemPhysChem ◽  
2020 ◽  
Vol 21 (15) ◽  
pp. 1653-1664
Author(s):  
Mohammad Aarabi ◽  
Samira Gholami ◽  
Sławomir J. Grabowski
Keyword(s):  
Hydrogen Bonds ◽  
Carboxylic Acids

Table salt as a catalyst for the oxidation of aromatic alcohols and amines to acids and imines in aqueous medium: effectively carrying out oxidation reactions in sea water

2019 ◽  
Vol 21 (8) ◽  
pp. 1929-1934 ◽  
Author(s):  
Susanta Hazra ◽  
Ajay Kishor Kushawaha ◽  
Deepak Yadav ◽  
Pritam Dolui ◽  
Mayukh Deb ◽  
...  
Keyword(s):  
Aqueous Medium ◽  
Carboxylic Acids ◽  
Sea Water ◽  
Oxidation Reactions ◽  
Table Salt ◽  
Economical Method ◽  
Oxidation Of Alcohols ◽  
Aromatic Alcohols

A simple, efficient, sustainable and economical method for the oxidation of alcohols and amines has been developed using chloride, a sea abundant anionic catalyst for the synthesis of a range of carboxylic acids, ketones and imines.

scholarly journals Monoclinic and orthorhombic forms of (RS)-(E)-4-[2-(4-chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5H-benzo[b]pyrimido[5,4-f]azepine: synthesis, concomitant polymorphism and supramolecular assembly mediated by C—H...N, C—H...π(arene) and C—Cl...π(arene) interactions

2019 ◽  
Vol 75 (6) ◽  
pp. 686-693
Author(s):  
Lina M. Acosta Quintero ◽  
Alirio Palma ◽  
Duane Choquesillo-Lazarte ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bonds ◽  
High Resolution Mass Spectrometry ◽  
Three Dimensional ◽  
Supramolecular Assembly ◽  
Framework Structure ◽  
Molecular Conformations ◽  
Space Group ◽  
Compound C ◽  
Resolution Mass ◽  
C Nmr

The title compound, C21H20ClN5, has been synthesized in two steps from (RS)-4-chloro-6,11-dimethyl-6,11-dihydro-5H-benzo[b]pyrimido[5,4-f]azepine and characterized by 1H and 13C NMR spectroscopy and by high-resolution mass spectrometry. Crystallization from hexane–ethyl acetate yields approximately equal quantities of a monoclinic polymorph in the space group Cc, (I), and an orthorhombic polymorph in the space group Pna21, (II). The molecules in polymorphs (I) and (II) show small differences in their molecular conformations, particularly in the shape of the azepine ring and the orientation of the chlorophenyl substituent. The molecules in polymorph (I) are linked by C—H...N and C—H...π(arene) hydrogen bonds to form sheets, which are linked into a three-dimensional framework structure by C—Cl...π(arene) interactions. There are no C—Cl...π(arene) interactions between the molecules in polymorph (II) and the supramolecular assembly takes the form of sheets built from C—H...N and C—H...π(arene) hydrogen bonds. Comparisons are made with some related structures.

scholarly journals Supramolecular Assembly Interceded by C-H···O Hydrogen Bonds and Nitro···π(arene) Interactions of Antibacterial 4-Methyl-(2-nitro benzylidene)aniline using DFT and its Spectral Studies

2020 ◽  
Vol 32 (5) ◽  
pp. 1048-1058
Author(s):  
R. Mini ◽  
T. Joselin Beaula ◽  
P. Muthuraja ◽  
V. Bena Jothy
Keyword(s):  
Hydrogen Bonds ◽  
Supramolecular Assembly ◽  
Docking Studies ◽  
Spectral Studies ◽  
Biological Applications ◽  
Charge Delocalization ◽  
Aniline Molecule ◽  
Charge Analysis ◽  
Ft Ir ◽  
Ft Raman

4-Methyl-(2-nitrobenzylidene)aniline (MNBA) was grown and its structural as well as spectral analyses (FT-IR, FT-Raman, UV and NMR) using experimental and DFT computations were performed to understand its biological applications. Stability of molecule, charge delocalization, charge analysis and charge transfer interactions had been explored to examine the structural analysis. Docking studies also suggested that 4-methyl-(2-nitrobenzylidene)aniline exhibit antibacterial activity. Supramolecular assembly of 4-methyl-(2-nitrobenzylidene)aniline molecule was interceded by C-H···O hydrogen bonds and nitro···π(arene) interactions.

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