Host–guest complexation of ionic liquid with α- and β-cyclodextrins: a comparative study by 1H-NMR, 13C-NMR and COSY

2018 ◽  
Vol 42 (17) ◽  
pp. 14542-14550 ◽  
Author(s):  
Manoj Kumar Banjare ◽  
Kamalakanta Behera ◽  
Manmohan L. Satnami ◽  
Siddharth Pandey ◽  
Kallol K. Ghosh
Keyword(s):  
Ionic Liquid ◽  
Chemical Shift ◽  
Comparative Study ◽  
13C Nmr ◽  
Electrostatic Interactions ◽  
Guest Molecule ◽  
Inclusion Complexation ◽  
H Nmr ◽  
Cosy Nmr ◽  
C Nmr

The inclusion complexation of 1-butyl-3-methylimidazolium octylsulphate [Bmim][OS] with host α- and β-cyclodextrins (CDs) has been explored by 1H NMR, 13C NMR and COSY methods. The insertion of a guest molecule into the cavity of CD is clearly reflected by changes in 1H-NMR and 13C-NMR chemical shift values and COSY NMR suggest that both H-bonding and electrostatic interactions involved to the complexation.

Ultrasound-assisted aqua-mediated synthesis of multi-substituted tetrahydropyridine-3-carboxylates using N-carboxymethyl-3-pyridinium hydrogensulfate ([N-CH2CO2H-3-pic]+HSO4−) as a new efficient ionic liquid catalyst

2021 ◽  
Vol 3 (6) ◽  
Author(s):  
Kobra Nikoofar ◽  
Fatemeh Shahriyari
Keyword(s):  
Ionic Liquid ◽  
Reaction Times ◽  
Aromatic Aldehydes ◽  
Environmentally Benign ◽  
H Nmr ◽  
Sonic Waves ◽  
Ft Ir ◽  
High Yields ◽  
Work Up ◽  
C Nmr

AbstractA simple, straightforward, and ultrasound-promoted method for the preparation of some highly functionalized tetrahydropyridines reported via pseudo five-component reaction of (hetero)aromatic aldehydes, different anilines, and alkyl acetoacetates in the presence of [N-CH2CO2H-3-pic]+HSO4−, as a novel ionic liquid, in green aqueous medium. The IL was synthesized utilizing simple and easily-handled substrates and characterized by FT-IR, 1H NMR, 13C NMR, GC-MASS, FESEM, EDX, and TGA/DTG techniques. The procedure contains some highlighted aspects which are: (a) performing the MCR in the presence of aqua and sonic waves, as two main important and environmentally benign indexes in green and economic chemistry, (b) high yields of products within short reaction times, (c) convenient work-up procedure, (d) preparing the new IL via simple substrates and procedure.

13C-NMR-Spektroskopie an polycyclischen Aromaten, II. Die 13C-NMR-Spektren von 1- und 2-Fluornaphthalin. Überprüfung der Signalzuordnung und Untersuchung der Substituenteneffekte auf die chemischen Verschiebungen / 13C NMR Spectroscopy of Polycyclic Aromatics, II. The 13C NMR Spectra of 1- and 2-Fluoronaphthalene. Reexamination of Signal Assignments and Investigation of Substituent Effects on Chemical Shifts

1975 ◽  
Vol 30 (9-10) ◽  
pp. 788-793 ◽  
Author(s):  
Ludger Ernst
Keyword(s):  
13C Nmr ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Double Resonance ◽  
Substituent Effects ◽  
13C Nmr Spectroscopy ◽  
Polycyclic Aromatics ◽  
H Nmr ◽  
Iterative Analysis ◽  
C Nmr

During a reinvestigation of the 13C NMR spectra of 1-fluoronaphthalene (1) and of 2-fluoronaphthalene (2) at 20 and 25.16 MHz, uncertainties that existed in the literature about signal assignments for 1 could be cleared. In the spectral analyses for 2 given so far, five out of ten signals were incorrectly assigned. The corrected assignment is supported by extensive 13C{1H} double resonance experiments, by recording of proton-coupled 13C and 13C{19F} spectra and by off-resonance 13C{1H} noise-decoupling. The results show a strong + M-effect of the fluorine substituents on 13C chemical shifts similar to the effects of OH and OCH3 groups. 1H NMR spectra of 1 and 2 could be partially assigned by decoupling of the 19F resonances and by iterative analysis.

Design, preparation and characterization of a new ionic liquid, 1,3-disulfonic acid benzimidazolium chloride, as an efficient and recyclable catalyst for the synthesis of tetrahydropyridine under solvent-free conditions

RSC Advances ◽  
2015 ◽  
Vol 5 (83) ◽  
pp. 67405-67411 ◽  
Author(s):  
Mohsen Abbasi
Keyword(s):  
Ionic Liquid ◽  
Mass Spectra ◽  
Recyclable Catalyst ◽  
Solvent Free ◽  
Disulfonic Acid ◽  
H Nmr ◽  
Solvent Free Conditions ◽  
Ft Ir ◽  
C Nmr

In the present work, 1,3-disulfonic acid benzimidazolium chloride as a new ionic liquid, is synthesized, and characterized by studying its FT-IR, 1H NMR, 13C NMR as well as mass spectra.

Synthesis of Ionic Liquid Polymer Incorporating Activated Carbon for Carbon Dioxide Capture and Separation

2016 ◽  
Vol 1133 ◽  
pp. 566-570 ◽  
Author(s):  
Hamayoun Mahmood ◽  
Muhammad Hafiz Arif bin Ahmad Sayukhi ◽  
Muhammad Moniruzzaman ◽  
Suzana Yusup
Keyword(s):  
Ionic Liquid ◽  
Activated Carbon ◽  
Adsorption Mechanism ◽  
Lattice Structure ◽  
Polymer Materials ◽  
Liquid Polymer ◽  
H Nmr ◽  
Liquid Polymers ◽  
Ionic Liquid Polymer ◽  
C Nmr

CO2 capture and separation by ionic liquid is one of the fastest growing branches in ionic liquid technology. The aim of this research was to synthesize the ionic liquid polymer incorporating activated carbon and investigating its performance for CO2 capture and separation. The ionic liquid monomers 1-vinyl-3-ethylimidazolium bromide, [veim][Br] and 1-vinyl-3-ethylimidazolium bis (trifluoromethyl-sulfonyl) imide, [veim][Tf2N] were first synthesized and then polymerized into ionic liquid polymers incorporating activated carbon. The purity of the [veim][Br] and [veim][Tf2N] was verified by 1H NMR, 13C NMR and Ion Chromatography. Both monomers were proved to be in high purity. The elemental composition of both polymer materials synthesized were examined using energy dispersive X-ray spectroscopy (EDX) and the morphology of the synthesized material was observed using field emission scanning electron microscopy (FESEM). The results revealed that activated carbon has been successfully incorporated into the lattice structure of polymer materials. The fabricated polymer materials would be expected to have higher CO2 capture capability as it combines both the absorption and adsorption mechanism for CO2 apprehension and sequestration.

13C-NMR chemische Verschiebung phenylsubstituierter polycyclischer Kohlenwasserstoffe / 13C-NMR Chemical Shift of Phenylsubstituted Polycyclic Hydrocarbons

1979 ◽  
Vol 34 (11) ◽  
pp. 1334-1343 ◽  
Author(s):  
W. Storek ◽  
J. Sauer ◽  
R. Stößer
Keyword(s):  
Chemical Shift ◽  
13C Nmr ◽  
Nmr Spectra ◽  
Ring Current ◽  
Current Effect ◽  
Nmr Data ◽  
Ring Current Effect ◽  
Anisotropic Contribution ◽  
Chemische Verschiebung ◽  
C Nmr

13C-NMR spectra of tetracene, rubrene, 1,3,5-tri-, penta-, and hexaphenylbenzene are reported. The discussion also includes the already known 13C-NMR data for diphenyl, 9,10-diphenyl-, 9,10-dibenzyl-, and 9,10-dimethyl-anthracene [1] as well as toluene. On the basis of CNDO/2 calculations different influences (diamagnetic and paramagnetic term, anisotropic contribution, ring current effect, geometry) on the chemical shift are analyzed for diphenyl and within the row benzene through tetracene

scholarly journals Efficient ZrO(NO3)2.2H2O Catalyzed Synthesis of 1H-Indazolo[1,2-b] phthalazine-1,6,11(13H)-triones and Electronic Properties Analyses, Vibrational Frequencies, NMR Chemical Shift Analysis, MEP: A DFT Study

2020 ◽  
Vol 2020 ◽  
pp. 1-13
Author(s):  
Forozan Piryaei ◽  
Nahid Shajari ◽  
Hooriye Yahyaei
Keyword(s):  
Chemical Shift ◽  
Density Functional ◽  
Chemical Potential ◽  
Theoretical Calculations ◽  
Calculated Data ◽  
Chemical Hardness ◽  
Total Density ◽  
Nmr Chemical Shift ◽  
H Nmr ◽  
C Nmr

The synthesis of 1H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione derivatives, using one-pot three-component condensation reaction of 3-nitrophthalic anhydride, hydrazine monohydrate, dimedone, and aromatic aldehydes in the presence of ZrO(NO3)2.2H2O as the novel catalyst and in reflux conditions in EtOH was reported. Quantum theoretical calculations for three structures of compounds (5a, 5b, and 5c) were performed using the Hartree–Fock (HF) and density functional theory (DFT). From the optimized structure, geometric parameters were obtained and experimental measurements were compared with the calculated data. The structures of the products were confirmed by IR, 1H NMR, 13C NMR, mass spectra, and elemental analyses. The IR spectra data and 1H NMR and 13C NMR chemical shift computations of the 1H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione derivatives in the ground state were calculated. Frontier molecular orbitals (FMOs), total density of states (DOS), thermodynamic parameters, and molecular electrostatic potential (MEP) of the title compounds were investigated by theoretical calculations. Molecular properties such as the ionization potential (I), electron affinity (A), chemical hardness (η), electronic chemical potential (µ), and electrophilicity (ω) were investigated for the structures. Thus, there was an excellent agreement between experimental and theoretical results.

scholarly journals 1 H NMR and hyperpolarized 13 C NMR assays of pyruvate–lactate: a comparative study

2013 ◽  
Vol 26 (10) ◽  
pp. 1321-1325 ◽  
Author(s):  
Deborah K. Hill ◽  
Yann Jamin ◽  
Matthew R. Orton ◽  
Nicolas Tardif ◽  
Harold G. Parkes ◽  
...  
Keyword(s):  
Comparative Study ◽  
H Nmr ◽  
C Nmr

scholarly journals Total assignment of the1H and13C NMR spectra of piperovatine

1998 ◽  
Vol 14 (1) ◽  
pp. 35-40 ◽  
Author(s):  
Willy Rendón ◽  
Galia Chávez ◽  
Myriam Meléndez-Rodríguez ◽  
Pedro Joseph-Nathan
Keyword(s):  
Chemical Shift ◽  
Chemical Shift Correlation ◽  
Nmr Spectrum ◽  
Quaternary Carbon Atom ◽  
H Nmr ◽  
Simulation Based ◽  
Complete Assignment ◽  
Nmr Methods ◽  
Unambiguous Assignment ◽  
C Nmr

Total and unambiguous assignment of the1H NMR spectrum of piperovatine [6‒(4‒methoxyphenyl)‒N‒(2‒methylpropyl)‒2,4‒hexadienamide] was carried out using conventional 1D NMR methods and spectral spin–spin simulation. Based on these data, the complete assignment of the13C NMR chemical shift values was made by a13C/1H chemical shift correlation diagram and conventional considerations for the quaternary carbon atom.

scholarly journals Phytochemical screening of Colocasia gigantea and Colocasia affinis (Family: Araceae) using 1H-NMR and 13C-NMR techniques

2020 ◽  
Author(s):  
Safaet Alam ◽  
Mohammad Rashedul Haque
Keyword(s):  
Stearic Acid ◽  
1H Nmr ◽  
13C Nmr ◽  
Ornamental Plant ◽  
Phytochemical Screening ◽  
Separation Techniques ◽  
H Nmr ◽  
The World ◽  
Nmr Techniques ◽  
C Nmr

AbstractColocasia affinis and Colocasia gigantea are two of commonly found species under Colocasia genus. Folkloric use of these plants ascertains their ethnopharmacological importance and these plants are eaten as vegetables in several regions all around the world while Colocasia gigantea has planted as an ornamental plant too. Phytochemical screening of dichloromethane fractions of these plants using several separation techniques along followed by 1H-NMR and 13C-NMR techniques provide flavonoids and some other phyto compounds. However, in total 7 compounds were isolated from these plants i.e. penduletin (1), 7,8 -(3”,3”-dimethyl-pyrano)-4’-hydroxy flavonol (2), mixture of 7,8 -(3’’,3’’-dimethyl-pyrano)-4’-hydroxy flavonol from C. affinis and mixture of α-amyrin and β-amyrin (3), penduletin (5), monoglyceride of stearic acid (6) from C. gigantea.

scholarly journals NMR spectroscopic properties of furo[2′,3′:4,5]pyrrolo[1,2-d][1,2,4]triazine derivatives

2017 ◽  
Vol 16 (2) ◽  
pp. 147-151 ◽  
Author(s):  
Ivana Zemanová ◽  
Renata Gašparová
Keyword(s):  
Chemical Shift ◽  
Carbonyl Group ◽  
Chemical Shifts ◽  
Spectroscopic Properties ◽  
Chloromethyl Group ◽  
Nmr Chemical Shifts ◽  
H Nmr ◽  
Triazine Derivatives ◽  
C Nmr ◽  
Electron Withdrawing Substituents

Abstract The 1H and 13C NMR spectroscopic properties of a series of furo[2′,3′:4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-ones and -thiones were investigated. The influence of various electron donating as well as electron withdrawing substituents at C-5 or N-7 on 1H NMR chemical shifts as well as 13C chemical shifts at C8 were observed. The 5-chloromethyl group had a little influence on the chemical shift of H-7 proton and the 8-thione group causes deshielding of H-7 as well as H-5 protons in comparison with the C-8 carbonyl group.

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