Characterization of New Inorganic- Organic Hybrid Compounds: (C6H10N2).Cl2 (I), [C6H10N2]2ZnCl4 (II): Crystal Structure, Hirschfield Surface, IR and NMR spectroscopy Analysis.

2021 ◽  
Author(s):  
nejeh hannachi ◽  
faouzi hlel
Keyword(s):  
Nmr Spectroscopy ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Spectroscopy Analysis ◽  
Absorption Bands ◽  
Monoclinic System ◽  
Xrd Pattern ◽  
Organic Hybrid ◽  
C Nmr

Abstract Two new organic-inorganic hybrid materials, (C6H10N2).Cl2 (I) and [C6H10N2]2ZnCl4 (II), have been synthesized by hydrothermal method and characterized by single-crystal X-ray diffraction and XRD pattern investigations. These two compounds are crystallized in the monoclinic system; C2/c space group. In the both structures, the anionic-cationic entities are interconnected by hydrogen bonding contacts and p-p Interaction forming three-dimensional networks. Intermolecular interactions were investigated by Hirshfeld surfaces and the contacts of the four different chloride atoms in (II) were compared. The vibrational absorption bands were identified by infrared spectroscopy. These compounds were also investigated by solid state 13C NMR spectroscopy.

scholarly journals Crystal structure of 2-(2,6-diisopropylphenyl)-N,N-diethyl-3,3-dimethyl-2-azaspiro[4.5]decan-1-amine: a diethylamine adduct of a cyclic(alkyl)(amino)carbene (CAAC)

2021 ◽  
Vol 77 (9) ◽  
Author(s):  
Roxanne A. Naumann ◽  
Joseph W. Ziller ◽  
Allegra L. Liberman-Martin
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Title Compound ◽  
Lithium Diisopropylamide ◽  
X Ray Diffraction ◽  
X Ray ◽  
Compound C ◽  
Lithium Diethylamide ◽  
C Nmr

The structure of the title compound, C27H46N2, at 93 K has monoclinic (P21/n) symmetry. The title compound was prepared by treatment of 2-(2,6-diisopropylbenzene)-3,3-dimethyl-2-azaspiro[4.5]dec-1-en-2-ium hydrogen dichloride with two equivalents of lithium diethylamide. Characterization of the title compound by single-crystal X-ray diffraction and 1H and 13C NMR spectroscopy is presented. Formation of the diethylamine adduct of the cyclic(alkyl)(amino)carbene (CAAC) was unexpected, as deprotonation using lithium diisopropylamide results in free CAAC formation.

N-alkyl-2-(1,2-diferrocenylvinyl)-4,5-dihydrooxazolinium salts, multi-component synthesis and breaking of their heterocyclic systems

2016 ◽  
Vol 88 (12) ◽  
pp. 1129-1142 ◽  
Author(s):  
Jessica J. Sánchez García ◽  
Marcos Flores-Alamo ◽  
Mark E. Martínez Klimov ◽  
Elena I. Klimova
Keyword(s):  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Elemental Analysis ◽  
X Ray Diffraction ◽  
X Ray ◽  
Alkyl Iodides ◽  
New Compounds ◽  
C Nmr

AbstractA new multicomponent method for the synthesis of N-alkyl-2-(Z-1,2-diferrocenylvinyl)-4,5-dihydrooxazolinium salts 3a–f, 5-(N-alkyl-2′,3′-diferrocenyl-acryloylamido)-3-aza-3-alkylpentanols 4a–d, (E)-N-alkyl-N-(2-morpholinoethyl)-2,3-diferrocenylacrylamides 9a,b,e,f and (E)-N-alkyl-N-(2-piperidinoethyl)-2,3-diferrocenylacrylamides 10a,c from reactions of 2,3-diferrocenylcyclopropenone 1 with bis-1,4-N,O-nucleophiles in the presence of triethyloxonium tetrafluoroborate, alkyl iodides, morpholine, piperidine and Et3N is described. The characterization of the new compounds was done by IR, 1H- and 13C-NMR spectroscopy, mass-spectrometry, elemental analysis and X-ray diffraction studies.

scholarly journals Synthesis, Crystal Structure, and Characterization of the first Organic Cation Hexaoxoperiodate

2013 ◽  
Vol 9 (1) ◽  
pp. 1776-1782
Author(s):  
I. Wacharine ◽  
Wajda Sta Smirani ◽  
M. Rzaigui
Keyword(s):  
Title Compound ◽  
Three Dimensional ◽  
13C Nmr Spectroscopy ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network

The title compound is an organic-inorganic hybrid material. The single crystal X-ray diffraction investigation reveals that the studied compound crystallizes in the monoclinic system, space group P21/c with the following lattice parameters:               𝑎 = 7.551 (2) Å, 𝑏 = 6.694 (3) Å, 𝑐 = 14.783 (2) Å, β = 97.61 (2)° and 𝑍 = 2. The crystal lattice is composed of a discrete (H4IO6)− anion surrounded by piperazinium cations and water molecules. Complex hydrogen bonding interactions between the different chemical spices form a three-dimensional network. Room temperature IR, 13C NMR spectroscopy, thermogravimetric analysis and optical absorption of the title compound were recorded and analyzed. 

Convenient Synthesis and Characterization of Star-Shaped Dendrimers: 2,4,6-Trisubstituted 1,3,5-Triazine Derivatives

2011 ◽  
Vol 396-398 ◽  
pp. 2476-2484
Author(s):  
Qi Meng ◽  
Gui Yong Wu ◽  
Ying Shao ◽  
Xiao Qiang Sun
Keyword(s):  
Network Architecture ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Convenient Synthesis ◽  
Triazine Derivatives ◽  
Ft Ir ◽  
C Nmr

A serial of novel star-shaped 2,4,6-trisubstituted 1,3,5-triazine (s-triazine) dendrimers were synthesized via step-by-step nucleophilic substitution starting from 2,4,6-trichloro-1,3,5-triazine, and were characterized by1H,13C NMR, FT-IR and ESI-MS spectra. The crystal structures for 2b, 2d and 4c have been determined by X-ray diffraction analysis, which indicate that there are hydrogen bonding and short contact interactions existing in intermolecules result in forming three-dimensional network architecture. D NMR experiments demonstrate that symmetrical trialkylamino-s-triazine shows correlated rotations of its N(2-ethoxy-2-oxoethyl) groups, while unsymmetrical 2-R-4,6-bis(dialkylamino)-s-triazines display two non-equivalent N(2-ethoxy-2-oxoethyl) groups, issued from the restricted rotation about the created C(s-triazine)-N bonds, and was conformed by crystallographic data.

High Resolution Replication of Organoclay Surfaces

1982 ◽  
Vol 40 ◽  
pp. 576-577
Author(s):  
W. W. Barker ◽  
W. E. Rigsby ◽  
V. J. Hurst ◽  
W. J. Humphreys
Keyword(s):  
Clay Mineral ◽  
Organic Molecule ◽  
Organic Molecules ◽  
X Ray Diffraction ◽  
Xrd Pattern ◽  
X Ray ◽  
Naturally Occurring ◽  
Silicate Layers ◽  
Mineral Identification

Experimental clay mineral-organic molecule complexes long have been known and some of them have been extensively studied by X-ray diffraction methods. The organic molecules are adsorbed onto the surfaces of the clay minerals, or intercalated between the silicate layers. Natural organo-clays also are widely recognized but generally have not been well characterized. Widely used techniques for clay mineral identification involve treatment of the sample with H2 O2 or other oxidant to destroy any associated organics. This generally simplifies and intensifies the XRD pattern of the clay residue, but helps little with the characterization of the original organoclay. Adequate techniques for the direct observation of synthetic and naturally occurring organoclays are yet to be developed.

An unusual reaction of a bridged triterpenoid α-diketone with acetic anhydride

1991 ◽  
Vol 56 (12) ◽  
pp. 2917-2935 ◽  
Author(s):  
Eva Klinotová ◽  
Václav Křeček ◽  
Jiří Klinot ◽  
Miloš Buděšínský ◽  
Jaroslav Podlaha ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Nmr Spectroscopy ◽  
Acetic Anhydride ◽  
Spectral Methods ◽  
X Ray Diffraction ◽  
X Ray ◽  
Mild Conditions ◽  
Condensation Products ◽  
Unsaturated Lactones ◽  
C Nmr

3β-Acetoxy-21,22-dioxo-18α,19βH-ursan-28,20β-olide (IIIa) reacts with acetic anhydride in pyridine under very mild conditions affording β-lactone IVa and γ-lactones Va and VIIa as condensation products. On reaction with pyridine, lactones Va and VIIa undergo elimination of acetic acid to give unsaturated lactones VIIIa and IXa, respectively. Similarly, the condensation of 20β,28-epoxy-21,22-dioxo-18α,19βH-ursan-3β-yl acetate (IIIb) with acetic anhydride leads to β-lactone IVb and γ-lactone Vb; the latter on heating with pyridine affords unsaturated lactone VIIIb and 21-methylene-22-ketone Xb. The structure of the obtained compounds was derived using spectral methods, particularly 1H and 13C NMR spectroscopy; structure of lactone IVa was confirmed by X-ray diffraction.

scholarly journals Characterization of Beeswax, Candelilla Wax and Paraffin Wax for Coating Cheeses

Coatings ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 261
Author(s):  
Adolfo Bucio ◽  
Rosario Moreno-Tovar ◽  
Lauro Bucio ◽  
Jessica Espinosa-Dávila ◽  
Francisco Anguebes-Franceschi
Keyword(s):  
Physical And Mechanical Properties ◽  
Tensile Tests ◽  
Paraffin Wax ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Absorption Bands ◽  
Dimensional Changes ◽  
Ductile Behavior ◽  
Candelilla Wax

A study on the physical and mechanical properties of beeswax (BW), candelilla wax (CW), paraffin wax (PW) and blends was carried out with the aim to evaluate their usefulness as coatings for cheeses. Waxes were analyzed by X-ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), differential scanning calorimetry (DSC), permeability, viscosity, flexural and tensile tests and scanning electron microscopy. Cheeses were coated with the waxes and stored for 5 weeks at 30 °C. Measured parameters were weight, moisture, occurrence and degree of fractures, and dimensional changes. The crystal phases identified by XRD for the three waxes allowed them to determine the length of alkanes and the nonlinear compounds in crystallizable forms in waxes. FTIR spectra showed absorption bands between 1800 and 800 cm−1 related to carbonyls in BW and CW. In DSC, the onset of melting temperature was 45.5 °C for BW, and >54 °C for CW and PW. Cheeses coated with BW did not show cracks after storage. Cheeses coated with CW and PW showed microcraks, and lost weight, moisture and shrunk. In the flexural and tensile tests, BW was ductile; CW and PW were brittle. BW blends with CW or PW displays a semi ductile behavior. Cheeses coated with BW blends lost less than 5% weight during storage. The best waxes were BW and the blends.

Hydrothermal Synthesis and Characterization of BiFeO3 Polyhedral Crystallites

2012 ◽  
Vol 174-177 ◽  
pp. 508-511
Author(s):  
Lin Lin Yang ◽  
Yong Gang Wang ◽  
Yu Jiang Wang ◽  
Xiao Feng Wang
Keyword(s):  
Electron Microscopy ◽  
Scanning Electron Microscopy ◽  
Transmission Electron Microscopy ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Xrd Pattern ◽  
X Ray ◽  
Transmission Electron ◽  
Scanning Electron

BiFeO3 polyhedrons had been successfully synthesized via a hydrothermal method. The as-prepared products were characterized by power X-ray diffraction (XRD) pattern, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The possible mechanisms for the formation of BiFeO3 polyhedrons were discussed. Though comparison experiments, it was found that the kind of precursor played a key role on the morphology control of BiFeO3 crystals.

Microwave-assisted solvent-free synthesis and spectral and structural characterization of cyclotriphosphazene hexakis(o-tolylamide)

2018 ◽  
Vol 73 (12) ◽  
pp. 999-1003 ◽  
Author(s):  
Mohammad Hakimi ◽  
Homeyra Rezaei ◽  
Keyvan Moeini ◽  
Heidar Raissi ◽  
Vaclav Eigner ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Microwave Irradiation ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
Aromatic Rings ◽  
X Ray ◽  
Microwave Assisted ◽  
Ft Ir ◽  
Solvent Free Synthesis

AbstractA new cyclotriphosphazene, 2,2,4,4,6,6-hexakis (o-tolylamono)-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinine (MPAP), was prepared using microwave irradiation and identified by elemental analysis, FT-IR, Raman, 31P NMR spectroscopy, and single-crystal X-ray diffraction. In the crystal, in addition to hydrogen bonds, the network is further stabilized by inter- and intramolecular π–π stacking interactions between aromatic rings.

Characterization of bulk crystals of transition metal doped ZnO for spintronic applications

2003 ◽  
Vol 799 ◽  
Author(s):  
M. H. Kane ◽  
R. Varatharajan ◽  
Z. C. Feng ◽  
S. Kandoor ◽  
J. Nause ◽  
...  
Keyword(s):  
Transition Metal ◽  
Lattice Parameter ◽  
X Ray Diffraction ◽  
Absorption Bands ◽  
Growth Technique ◽  
Undoped Material ◽  
Doped Zno ◽  
Metal Doped ◽  
The Individual

ABSTRACTIn this work, we report on the material properties of ZnO doped with Mn, Co, and Fe grown by a modified melt growth technique. X-ray diffraction measurements show that transition metals can be incorporated on Zn sites; an increase in the lattice parameter is apparent with increasing doping level. UV-visible transmission and reflectance measurements have also been performed. Absorption bands in the visible regime are distinctive to the individual transition metal dopants. A noticeable shift in the optical band edge has been observed from these Mn/Co/Fe-doped ZnO crystals in comparison with the undoped material. ZnO may also provide a suitable platform for the incorporation of transition metal elements through high temperature near equilibrium growth processes; however, further work is required in order to employ these materials for spintronic applications.

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