Thermal Behaviour, 1H, 13C NMR, and MS Studies of 1,4-Diaryl-2,3-dimethyl-1,4-diazabutadiene Tin Tetrachloride Complexes

1990 ◽  
Vol 45 (7) ◽  
pp. 1043-1048 ◽  
Author(s):  
Amparo Alvarez-Valdés ◽  
M. José Camazón ◽  
M. Carmen Navarro-Ranninger ◽  
Tomás Torres
Keyword(s):  
Mass Spectrometry ◽  
Raman Spectroscopy ◽  
Thermal Properties ◽  
Nmr Spectroscopy ◽  
Thermal Behaviour ◽  
13C Nmr ◽  
Donor Ability ◽  
Ir And Raman ◽  
C Nmr ◽  
Tin Tetrachloride

1,4-Diaryl-2,3-dimethyl-1,4-diazabutadiene tin tetrachloride complexes 1 · SnCl4 and 2 · SnCl4 have been prepared and characterized by thermal properties, IR and Raman spectroscopy and mass spectrometry. A study on their behaviour in solvents with different donor ability by 1H and 13C NMR spectroscopy is also described.

The mechanism of formation of 2,7-dimethyl-2,6-octadiene in the synthesis of 3-methylene-7-methyl-1,6-octadiene

1983 ◽  
Vol 48 (7) ◽  
pp. 1864-1866
Author(s):  
Jan Bartoň ◽  
Ivan Kmínek
Keyword(s):  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Alkali Metal ◽  
Chromatographic Analysis ◽  
Solid Phase ◽  
Reaction Pathway ◽  
Mechanism Of Formation ◽  
Gas Chromatographic Analysis ◽  
C Nmr ◽  
Visual Observations

2,7-Dimethyl-2,6-octadiene is formed in the catalytic solution for the dimerization of 2-methyl-1,3-butadiene to β-myrcene (3-methylene-7-methyl-1,6-octadiene), as revealed by mass spectrometry and 13C NMR spectroscopy. Visual observations together with the results of gas chromatographic analysis of the catalytic solution suggest that the formation of 2,7-dimethyl-2,6-octadiene is associated with the transition of the alkali metal (sodium) from the solid phase into the solution. A reaction pathway is suggested accounting for the formation of 2,7-dimethyl-2,6-octadiene in the system.

A New Dimeric Derivative of Ethoxyquin from Its Reaction with Alkylperoxy Radicals

1993 ◽  
Vol 58 (8) ◽  
pp. 1914-1918 ◽  
Author(s):  
Jaroslav Kříž ◽  
Luděk Taimr
Keyword(s):  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Peroxy Radicals ◽  
Methyl Group ◽  
Alkylperoxy Radicals ◽  
C Nmr

The structure of a new compound formed in the reaction of ethoxyquin with alkylperoxy radicals was resolved by 1H and 13C NMR spectroscopy (including COSY, NOESY, HHC RCT and SSLR INEPT techniques) and confirmed by mass spectrometry. The structure suggest participation of 4-methyl group of ethoxyquin in the deactivation of peroxy radicals. A mechanism of this reaction is proposed.

scholarly journals (2S,3R,6R)-2-[(R)-1-Hydroxyallyl]-4,4-dimethoxy-6-methyltetrahydro-2H-pyran-3-ol

Molbank ◽  
10.3390/m1140 ◽  
2020 ◽  
Vol 2020 (2) ◽  
pp. M1140
Author(s):  
Jack Bennett ◽  
Paul Murphy
Keyword(s):  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
13C Nmr ◽  
Conjugate Addition ◽  
13C Nmr Spectroscopy ◽  
One Pot ◽  
1H And 13C Nmr ◽  
Esi Mass Spectrometry ◽  
The One

(2S,3R,6R)-2-[(R)-1-Hydroxyallyl]-4,4-dimethoxy-6-methyltetrahydro-2H-pyran-3-ol was isolated in 18% after treating the glucose derived (5R,6S,7R)-5,6,7-tris[(triethylsilyl)oxy]nona-1,8-dien-4-one with (1S)-(+)-10-camphorsulfonic acid (CSA). The one-pot formation of the title compound involved triethylsilyl (TES) removal, alkene isomerization, intramolecular conjugate addition and ketal formation. The compound was characterized by 1H and 13C NMR spectroscopy, ESI mass spectrometry and IR spectroscopy. NMR spectroscopy was used to establish the product structure, including the conformation of its tetrahydropyran ring.

A Novel Method for 13C-NMR Spectroscopy of Polymer in Emulsion: Quantitative Analysis of Microstructure of Crosslinked Polybutadiene in Latex

1999 ◽  
Vol 72 (5) ◽  
pp. 844-853 ◽  
Author(s):  
Seiichi Kawahara ◽  
Saori Bushimata ◽  
Takashi Sugiyama ◽  
Chihiro Hashimoto ◽  
Yasuyuki Tanaka
Keyword(s):  
Nmr Spectroscopy ◽  
High Resolution ◽  
13C Nmr ◽  
Lattice Relaxation ◽  
13C Nmr Spectroscopy ◽  
Lattice Relaxation Time ◽  
Solid Sample ◽  
Spin Lattice Relaxation ◽  
High Resolution Spectrum ◽  
C Nmr

Abstract A novel analytical method using high resolution 13C-NMR spectroscopy to study polymer latex, which is a heterogeneous system comprising polymer dispersoid and water, is described. The appropriate concentrations of surfactant and dried rubber content of a polybutadiene latex, which give the best spectrum, were found to be 1 w/v % and 10%, respectively. The half-widths of resonance peaks for the latex sample were almost identical to the half-widths obtained in solution, which were about one-third the width of those obtained using a solid sample of either a crosslinked or soluble polybutadiene. Nevertheless, the signal to noise ratio for the latex sample was slightly smaller than that for the solution sample. The values of spin-lattice relaxation time, T1, for the latex sample were similar to those for the solid sample. These demonstrate that the latex state C-NMR spectroscopy will be a powerful technique for structural characterization of crosslinked gels in the dispersoid because it gives a high resolution spectrum comparable to solution state spectroscopy, showing short T1 values corresponding to those for solid state C-NMR spectroscopy. High resolution latex state 13C-NMR spectroscopy was used to determine the concentrations of the various isomers of the polybutadiene in the dispersoid.

Preparation, 1H and 13C NMR, and ab initio/IGLO study of mono-O-protonated deltic acid and theoretical investigation of di-, tri-, and tetra-O-protonated deltic acids

1999 ◽  
Vol 77 (5-6) ◽  
pp. 525-529 ◽  
Author(s):  
GK Surya Prakash ◽  
Golam Rasul ◽  
George A Olah ◽  
Ronghua Liu ◽  
Thomas T Tidwell
Keyword(s):  
Nmr Spectroscopy ◽  
Ab Initio ◽  
Theoretical Investigation ◽  
13C Nmr ◽  
Chemical Shifts ◽  
1H And 13C Nmr ◽  
Nmr Chemical Shifts ◽  
Molar Solution ◽  
Protonated Species ◽  
C Nmr

The hitherto elusive mono-O-protonated deltic acid C3O3H3+ was prepared by protolysis of di-tert-butoxy deltate in FSO3H-SO2ClF and in FSO3H:SbF5 (Magic Acid; 1:1 molar solution) in SO2ClF as solvent at -78°C and was characterized by 1H and 13C NMR spectroscopy. The structure and NMR chemical shifts were also calculated by the ab initio/IGLO method. No NMR evidence was found for persistent di-O-protonated deltic acid under these conditions, although a limited equilibrium with the mono-O-protonated species can be involved. Di-, tri-, and tetra-O-protonated deltic acids were also studied by ab initio/IGLO method.Key words: protonated deltic acid, aromaticity, superacids, NMR spectroscopy, ab initio and IGLO calculations.

Extent of intramolecular cyclization in RAFT-synthesized methacrylic branched copolymers using 13C NMR spectroscopy

2015 ◽  
Vol 6 (7) ◽  
pp. 1143-1149 ◽  
Author(s):  
J. Rosselgong ◽  
S. P. Armes
Keyword(s):  
Nmr Spectroscopy ◽  
Intramolecular Cyclization ◽  
13C Nmr ◽  
13C Nmr Spectroscopy ◽  
Branched Copolymers ◽  
C Nmr

The extent of intramolecular cyclization for a series of soluble branched methacrylic copolymers is determined by 13C NMR spectroscopy via deconvolution of oxymethylene carbon signals.

Ethylene Insertion with Soluble Ziegler Catalysts: Direct Insight into the Reaction Using Enriched 13C2 H4 and 13C NMR Spectroscopy II. The System Cp2TiMeCl/AlMeCl2/13C2H4

1985 ◽  
Vol 40 (2) ◽  
pp. 158-166 ◽  
Author(s):  
Gerhard Fink ◽  
Wolfgang Fenzl ◽  
Richard Mynott
Keyword(s):  
Nmr Spectroscopy ◽  
13C Nmr ◽  
13C Nmr Spectroscopy ◽  
Elementary Processes ◽  
Carbon Bond ◽  
Spectroscopic Evidence ◽  
Oligomer Distribution ◽  
Insight Into ◽  
C Nmr

Abstract The elementary processes involved in the polymerization of ethylene by soluble Ziegler catalysts of the type Cp2TiMeCl/AlMeCl2 have been studied by 13C NMR spectroscopy. Using 13C-enriched ethylene, detailed information was obtained directly on the system in the course of the polymerization. No spectroscopic evidence was found for precoordination of the monomer. The development of the oligomer distribution, which could be followed spectroscopically, proves that the mechanism proposed by Olivé cannot be correct. These experiments show conclusively that the ethylene is inserted into the titanium-carbon bond.

scholarly journals Structural Elucidation of Pimarane and Isopimarane Diterpenoids: The 13C NMR Contribution

2008 ◽  
Vol 3 (3) ◽  
pp. 1934578X0800300 ◽  
Author(s):  
Ana M. L. Seca ◽  
Diana C. G. A. Pinto ◽  
Artur M. S. Silva
Keyword(s):  
Nmr Spectroscopy ◽  
13C Nmr ◽  
Nmr Assignments ◽  
Structural Elucidation ◽  
Synthetic Compounds ◽  
Chiral Centers ◽  
Pimarane Diterpenoids ◽  
Biosynthetic Studies ◽  
C Nmr ◽  
Natural And Synthetic

13C NMR spectroscopy is actually one of the first tools used for the structural elucidation of natural and synthetic compounds and it is also used in biosynthetic studies. The aim of this review is to present the 13C NMR assignments of a large number of pimarane diterpenoids, describing the most significant effects caused by different substitution patterns and different stereochemistry at their chiral centers.

Organoboranes and tetraorganoborates studied by 11B and 13C NMR spectroscopy and DFT calculations

2015 ◽  
Vol 70 (6) ◽  
pp. 421-424 ◽  
Author(s):  
Bernd Wrackmeyer
Keyword(s):  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
13C Nmr ◽  
Quantum Chemical ◽  
13C Nmr Spectroscopy ◽  
Coupling Constants ◽  
Line Widths ◽  
Nmr Signals ◽  
C Nmr ◽  
Extract Information

AbstractCare should be taken on recording the sometimes elusive 13C NMR signals for boron-bonded carbon atoms, since it is easy to extract information about coupling constants 1J(13C,11B) by measuring the respective line widths of 13C(B-C) and 11B NMR signals. This information can be confirmed by quantum-chemical calculations [B3LYP (6-311+G(d,p) level of theory] of nJ(13C,11B) in organoboranes and tetraorganoborates. For the latter, the signs for n = 2, 3, 4 were experimentally determined.

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