scholarly journals FTIR Spectroscopic Studies on the Binary Solutions of 1 – Propanol with Xylene Isomers

2021 ◽  
Vol 37 (3) ◽  
pp. 710-716
Author(s):  
S.P. Naganandhini ◽  
T. Sangeetha ◽  
G. Arivazhagan
Keyword(s):  
Hydrogen Bond ◽  
Spectroscopic Study ◽  
Spectroscopic Studies ◽  
Binary Solutions ◽  
Hydrogen Bond Interactions ◽  
Classical Hydrogen Bond ◽  
Xylene Isomers

FTIR spectroscopic study is performed in 4000 – 400cm−1wavenumber rangeon pure Propanol(PRO), pure o-xylene (OXY), pure m-xylene(MXY), pure p-xylene(PXY) and their binary solutions (SS1 = 0.2 PRO + 0.8 OXY/MXY/PXY, SS2 =0.4+0.6 , SS3 = 0.6 + 0.4 and SS4 = 0.8 + 0.2)at various mole fractions. It was observed that neat propanol liquid appearsto be multimer especially as cyclic tetramer and involve in classical and non-classical hydrogen bond interactions with the three xylene isomers in all the binary solutions.

Hydrogen bond interactions in the binary solutions of ethyl acetate with nitrobenzene: Spectroscopic, theoretical and dielectric studies

2018 ◽  
Vol 251 ◽  
pp. 385-393 ◽  
Author(s):  
N.K. Karthick ◽  
G. Arivazhagan ◽  
P.P. Kannan ◽  
A. Mahendraprabu ◽  
A.C. Kumbharkhane ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Ethyl Acetate ◽  
Dielectric Studies ◽  
Binary Solutions ◽  
Hydrogen Bond Interactions

Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)-O,O′-dibenzoyltartaric acid

2001 ◽  
Vol 57 (3) ◽  
pp. 415-427 ◽  
Author(s):  
Urszula Rychlewska ◽  
Beata Warżajtis
Keyword(s):  
Hydrogen Bond ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Carbon Chain ◽  
Mutual Orientation ◽  
Carbonyl Groups ◽  
Hydrogen Bond Donor ◽  
Hydrogen Bond Interactions ◽  
Classical Hydrogen Bond ◽  
Small Change

The compounds analysed are the O,O′-dibenzoyl derivatives of (R,R)-tartaric acid, asymmetrically substituted by ester, amide and nitrile groups. Benzoylation does not introduce drastic changes to the molecular conformation. All investigated molecules adopt the planar T conformation of the four-carbon chain with noticeably smaller departures from the ideal conformation than observed in the nonbenzoylated analogs. Primary and secondary amides always orient the C=O bond antiperiplanar (a) with respect to the nearest C*—O bond, while methylester groups adjust their conformation to that adopted by the amide substituent situated at the other end of the molecule. Tertiary amides and carboxyl groups place their carbonyls at the same side as the nearest C*—O bond (the s form), but often deviations from coplanarity of the two bonds are significant and higher than those observed in the nonbenzoylated series. The results presented demonstrate the importance of dipole/dipole interactions between CO and βC*H groups in stabilizing the molecular conformation, and between carbonyl groups in stabilizing crystal packing of the molecules that lack classical hydrogen-bond donor groups. An illustration is provided as to how a small change in mutual orientation of molecules arranged in a close-packed fashion causes a change in the character of intermolecular interactions from van der Waals to sandwich stacking between the benzoyloxy phenyls, and to dipolar between the benzoyloxy carbonyls. Hydrogen-bonded molecules tend to orient in a head-to-tail mode; the head-to-head arrangement being limited to cases in which terminal carbonyl groups are situated at one side of the molecule. The orientation of the benzoyloxy substituents with respect to the carbon main chain is such that the (O=)C—O—C—H bond system often deviates significantly from planarity.

scholarly journals Bis[2-(2-hydroxymethyl)pyridine-κ2N,O](pivalato-κO)copper(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1055-m1055 ◽  
Author(s):  
M. Mobin Shaikh ◽  
Veenu Mishra ◽  
Priti Ram ◽  
Anil Birla
Keyword(s):  
Hydrogen Bond ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Pyridine Ligands ◽  
Hydrogen Bond Interactions ◽  
Distorted Octahedral

The structure of the centrosymmetric title complex, [Cu(C5H9O2)2(C6H7NO)2], has the CuIIatom on a centre of inversion. The CuIIatom is six-coordinate with a distorted octahedral geometry, defined by the N and O atoms of the chelating 2-(2-hydroxymethyl)pyridine ligands and two carboxylate O atoms from two monodentate pivalate ions. The crystal packing is stabilized by intermolecular C—H...O and intramolecular O—H...O hydrogen-bond interactions.

Rietveld refinement of the cocrystal 2,4-dihydroxybenzoic acid–N′-(propan-2-ylidene)nicotinohydrazide (1/1)

2012 ◽  
Vol 68 (9) ◽  
pp. o335-o337 ◽  
Author(s):  
Saul H. Lapidus ◽  
Andreas Lemmerer ◽  
Joel Bernstein ◽  
Peter W. Stephens
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Powder Diffraction ◽  
Supramolecular Assembly ◽  
Covalent Bond ◽  
Analytical Tool ◽  
Powder Diffraction Data ◽  
Dihydroxybenzoic Acid ◽  
Bond Forming ◽  
Hydrogen Bond Interactions

A further example of using a covalent-bond-forming reaction to alter supramolecular assembly by modification of hydrogen-bonding possibilities is presented. This concept was introduced by Lemmerer, Bernstein & Kahlenberg [CrystEngComm(2011),13, 55–59]. The title structure, C9H11N3O·C7H6O4, which consists of a reacted niazid molecule,viz.N′-(propan-2-ylidene)nicotinohydrazide, and 2,4-dihydroxybenzoic acid, was solved from powder diffraction data using simulated annealing. The results further demonstrate the relevance and utility of powder diffraction as an analytical tool in the study of cocrystals and their hydrogen-bond interactions.

Synthesis and structure of large 24-mer and 36-mer oxamate-based macrocycles

2017 ◽  
Vol 72 (7) ◽  
pp. 461-474 ◽  
Author(s):  
Saddam Weheabby ◽  
Mohammad A. Abdulmalic ◽  
Evgeny A. Kataev ◽  
Tatiana A. Shumilova ◽  
Tobias Rüffer
Keyword(s):  
Oxalyl Chloride ◽  
Spectroscopic Studies ◽  
Equimolar Amount ◽  
X Ray Diffraction ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Accessible Volume ◽  
Hydrogen Bond Interactions ◽  
Work Up ◽  
Solid State Structures

AbstractPoly(cyclic) oxamates represent novel and potentially multidentate ligands for coordination chemistry. To obtain them, the treatment of 2-nitroaniline with two equivalents of oxalyl chloride afforded N,N′-bis(2-nitrophenyl)oxalamide (1), and by reduction of 1 with [NH4][CO2H] and Pd/C, N,N′-bis(2-aminophenyl)oxalamide (2, bapoxH6) was synthesized. After the addition of an equimolar amount of oxalyl chloride to a THF solution of 2 and aqueous work-up the 24-membered macrocycle H8L2 was obtained. In analogues experiments, the addition of ethoxalyl and oxalyl chloride to 2 afforded the 36-membered macrocycle H12L3. The addition of Cu(OAc)2·H2O and NaOH to 2 gave rise to the formation of [Cu2(bapoxH4)(OAc)2] (4). The identities of 1, 2 and H8L2 were determined by elemental analysis, IR, NMR spectroscopic studies and by mass spectrometry. The solid state structures of H8L2, H12L3 and 4 have been determined by single-crystal X-ray diffraction studies. Macrocycle H12L3 forms chains through intermolecular hydrogen bonds, while packing of 4 consists of layers held by intermolecular dispersion and hydrogen bond interactions. 24-mer H8L2 forms a cavity with a diameter of about 7.5 Å corresponding to an accessible volume of about 120 Å3 according to the well-established 55% solution and was found to bind bromide and iodide anions selectively.

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